(1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol

C15H28O — CID 100968661

IUPAC(1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol
SMILESCCCCCCCC[C@@]12CCC[C@@H](O)[C@@H]1C2
InChIInChI=1S/C15H28O/c1-2-3-4-5-6-7-10-15-11-8-9-14(16)13(15)12-15/h13-14,16H,2-12H2,1H3/t13-,14+,15-/m0/s1
InChIKeyHESZFRCQMWFMFR-ZNMIVQPWSA-N
MW224.39 g/mol
LogP4.29
Rot. Bonds7

About (1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol

(1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol (PubChem CID 100968661) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol
PubChem CID100968661
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol
SMILESCCCCCCCC[C@@]12CCC[C@@H](O)[C@@H]1C2
InChIInChI=1S/C15H28O/c1-2-3-4-5-6-7-10-15-11-8-9-14(16)13(15)12-15/h13-14,16H,2-12H2,1H3/t13-,14+,15-/m0/s1
InChIKeyHESZFRCQMWFMFR-ZNMIVQPWSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol with MolForge

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Related Compounds

1-cyclopropyl-1-pentylcyclopropane
CID 173187185
7-heptylbicyclo[4.1.0]heptan-7-ol
CID 79331994
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
3-methoxy-1-nonylcyclohexan-1-ol
CID 106873856
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
8-methyl-8-pentyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 175589462
1-pentylbicyclo[2.2.2]octane
CID 13184608
(1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol
CID 10931443
2-nonylcyclopentane-1,3-diol
CID 163304158
2-(dihexylamino)cyclohexan-1-ol
CID 139882524
1-butyl-1-cycloheptylcycloheptane
CID 140610618

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol (CID 100968661) is (1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol is CCCCCCCC[C@@]12CCC[C@@H](O)[C@@H]1C2.
What is the InChIKey of (1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol?
The InChIKey is HESZFRCQMWFMFR-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H28O/c1-2-3-4-5-6-7-10-15-11-8-9-14(16)13(15)12-15/h13-14,16H,2-12H2,1H3/t13-,14+,15-/m0/s1.
What are the key properties of (1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol?
(1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol has a molecular weight of 224.39 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S)-6-octylbicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 100968661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).