7-heptylbicyclo[4.1.0]heptan-7-ol

C14H26O — CID 79331994

IUPAC7-heptylbicyclo[4.1.0]heptan-7-ol
SMILESCCCCCCCC1(O)C2CCCCC21
InChIInChI=1S/C14H26O/c1-2-3-4-5-8-11-14(15)12-9-6-7-10-13(12)14/h12-13,15H,2-11H2,1H3
InChIKeyVHEHRUDXXXZOIX-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.90
Rot. Bonds6

About 7-heptylbicyclo[4.1.0]heptan-7-ol

7-heptylbicyclo[4.1.0]heptan-7-ol (PubChem CID 79331994) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 7-heptylbicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-heptylbicyclo[4.1.0]heptan-7-ol
PubChem CID79331994
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name7-heptylbicyclo[4.1.0]heptan-7-ol
SMILESCCCCCCCC1(O)C2CCCCC21
InChIInChI=1S/C14H26O/c1-2-3-4-5-8-11-14(15)12-9-6-7-10-13(12)14/h12-13,15H,2-11H2,1H3
InChIKeyVHEHRUDXXXZOIX-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(2-cyclopentylethyl)bicyclo[4.1.0]heptan-7-ol
CID 79330658
4-methyl-1-pentylcyclohexan-1-ol
CID 65147316
1-heptadecylcyclopropan-1-ol
CID 2802251
1-octadecylcyclohexan-1-ol
CID 67204292
1-heptylcycloheptan-1-ol
CID 57057960
3-octyl-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171959535
2-octyladamantan-2-ol
CID 22603447
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
2-ethyl-1-nonylcyclohexan-1-ol
CID 65149326
7-hexyl-7,8-dimethylbicyclo[4.2.0]octane
CID 163618137
7-(3,3-dimethylbutyl)bicyclo[4.1.0]heptan-7-ol
CID 130484131
1-decyl-4-ethylcyclohexan-1-ol
CID 65147378

Frequently Asked Questions

What is the IUPAC name of 7-heptylbicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-heptylbicyclo[4.1.0]heptan-7-ol (CID 79331994) is 7-heptylbicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-heptylbicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-heptylbicyclo[4.1.0]heptan-7-ol is CCCCCCCC1(O)C2CCCCC21.
What is the InChIKey of 7-heptylbicyclo[4.1.0]heptan-7-ol?
The InChIKey is VHEHRUDXXXZOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-2-3-4-5-8-11-14(15)12-9-6-7-10-13(12)14/h12-13,15H,2-11H2,1H3.
What are the key properties of 7-heptylbicyclo[4.1.0]heptan-7-ol?
7-heptylbicyclo[4.1.0]heptan-7-ol has a molecular weight of 210.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-heptylbicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79331994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).