(1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol

C9H14O — CID 130992158

IUPAC(1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol
SMILESC=C1CC[C@H](O)[C@H]2C[C@@]12C
InChIInChI=1S/C9H14O/c1-6-3-4-8(10)7-5-9(6,7)2/h7-8,10H,1,3-5H2,2H3/t7-,8+,9+/m1/s1
InChIKeyDFXHDCKGTZBKFV-VGMNWLOBSA-N
MW138.21 g/mol
LogP1.72
Rot. Bonds

About (1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol

(1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol (PubChem CID 130992158) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol
PubChem CID130992158
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol
SMILESC=C1CC[C@H](O)[C@H]2C[C@@]12C
InChIInChI=1S/C9H14O/c1-6-3-4-8(10)7-5-9(6,7)2/h7-8,10H,1,3-5H2,2H3/t7-,8+,9+/m1/s1
InChIKeyDFXHDCKGTZBKFV-VGMNWLOBSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.72
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

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CID 143095782
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CID 59916980
(2S,3S,5S,8R,9S,10S,13S,14S)-2,10,13-trimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 90379457
(1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol
CID 122525723
(1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol
CID 10931443
(3S,10R,13S)-3,10,13-trimethyl-17-methylidene-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene
CID 59116721
(1S,2R,4R,5S)-4-[(4R,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-(hydroxymethyl)-4-methylcyclohexane-1,2-diol
CID 58103818
13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol
CID 18315266
(3R,5S,8S,9S,10S,11S,13S,14S)-3-(methoxymethoxy)-10,13-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-11-ol
CID 86731981
(3S,4aS,6aR,7aS,10aS,11aR,11bR)-7a-methyl-8-methylidene-2,3,4,4a,5,6,6a,7,9,10,10a,11,11a,11b-tetradecahydro-1H-cyclopenta[b]phenanthren-3-ol
CID 90396144
(3S,5S,6R,7R,8R,9S,10R,13S,14S)-10,13-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,6,7-triol
CID 130227125
(6R)-4,4,12,16-tetramethyl-17-methylidene-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol
CID 129044813

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol (CID 130992158) is (1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol is C=C1CC[C@H](O)[C@H]2C[C@@]12C.
What is the InChIKey of (1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol?
The InChIKey is DFXHDCKGTZBKFV-VGMNWLOBSA-N. The full InChI is InChI=1S/C9H14O/c1-6-3-4-8(10)7-5-9(6,7)2/h7-8,10H,1,3-5H2,2H3/t7-,8+,9+/m1/s1.
What are the key properties of (1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol?
(1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol has a molecular weight of 138.21 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 130992158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).