(1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol

C11H16O — CID 101350976

IUPAC(1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol
SMILESC=C1[C@@H]2C[C@H]3C[C@@H](C2)[C@H](O)[C@@H]1C3
InChIInChI=1S/C11H16O/c1-6-8-2-7-3-9(5-8)11(12)10(6)4-7/h7-12H,1-5H2/t7-,8+,9-,10+,11-/m0/s1
InChIKeyMBVSHEHMKPZHDW-HWUMTFDVSA-N
MW164.25 g/mol
LogP1.97
Rot. Bonds

About (1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol

(1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol (PubChem CID 101350976) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol.

Molecular Properties

Compound Name(1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol
PubChem CID101350976
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol
SMILESC=C1[C@@H]2C[C@H]3C[C@@H](C2)[C@H](O)[C@@H]1C3
InChIInChI=1S/C11H16O/c1-6-8-2-7-3-9(5-8)11(12)10(6)4-7/h7-12H,1-5H2/t7-,8+,9-,10+,11-/m0/s1
InChIKeyMBVSHEHMKPZHDW-HWUMTFDVSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,3R,4S,5R,7R)-4-hydroxyadamantan-2-one
CID 98044026
(1R,3S,4S,5S,7R)-4-hydroxyadamantan-2-one
CID 15561422
(1S,2S,3S,5S,7S)-4-hydroxyiminoadamantan-2-ol
CID 129437844
(3S,5R)-4-methylidenetricyclo[3.2.1.03,6]octane
CID 160552073
4-(hydroxymethyl)adamantan-2-one
CID 578149
(1S,2R,3R,5S,7R)-4-oxoadamantane-2-carboxylic acid
CID 99935696
(1R,2R,3R,5S,7S)-4-oxoadamantane-2-carboxylic acid
CID 11859729
N-(4-methyl-2-adamantylidene)hydroxylamine
CID 142199643
(1S,3R,5R,7S)-2-chloro-4-propan-2-ylideneadamantane
CID 131037917
2-(6-tert-butyl-2-methyl-3H-inden-4-yl)-4-methylideneadamantane
CID 123305560
(1R,3S,4S,5R,7S)-4-iodoadamantan-2-one
CID 98536749
4-azatricyclo[4.3.1.13,8]undecan-2-ol
CID 12518461

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol?
The IUPAC name of (1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol (CID 101350976) is (1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol.
What is the SMILES notation for (1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol?
The canonical SMILES for (1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol is C=C1[C@@H]2C[C@H]3C[C@@H](C2)[C@H](O)[C@@H]1C3.
What is the InChIKey of (1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol?
The InChIKey is MBVSHEHMKPZHDW-HWUMTFDVSA-N. The full InChI is InChI=1S/C11H16O/c1-6-8-2-7-3-9(5-8)11(12)10(6)4-7/h7-12H,1-5H2/t7-,8+,9-,10+,11-/m0/s1.
What are the key properties of (1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol?
(1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol has a molecular weight of 164.25 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,5R,7S)-4-methylideneadamantan-2-ol is sourced from PubChem (CID 101350976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).