adamantane-1-carbaldehyde

adamantane-1-carbaldehyde

CAS: 2094-74-8

Formula: C11H16O

SMILES: O=CC12CC3CC(CC(C3)C1)C2

IUPAC: adamantane-1-carbaldehyde

InChI: InChI=1S/C11H16O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10H,1-6H2

Composition: C (80.44%), H (9.82%), O (9.74%)

Molar Mass: 164.248

Atom Count: 28

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	164.120115135
Formal Charge	0
FSP3	0.91
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DZULQZKFBAHSRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.46
Topological Polar Surface Area	17.07
Polarizability	18.88
Ring Count	3
Rotatable Bond Count	1

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