3-heptyl-3-methylbicyclo[3.1.0]hexane

C14H26 — CID 163714426

IUPAC3-heptyl-3-methylbicyclo[3.1.0]hexane
SMILESCCCCCCCC1(C)CC2CC2C1
InChIInChI=1S/C14H26/c1-3-4-5-6-7-8-14(2)10-12-9-13(12)11-14/h12-13H,3-11H2,1-2H3
InChIKeyKMCFZEDOAZVYRG-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.78
Rot. Bonds6

About 3-heptyl-3-methylbicyclo[3.1.0]hexane

3-heptyl-3-methylbicyclo[3.1.0]hexane (PubChem CID 163714426) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 3-heptyl-3-methylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-heptyl-3-methylbicyclo[3.1.0]hexane
PubChem CID163714426
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name3-heptyl-3-methylbicyclo[3.1.0]hexane
SMILESCCCCCCCC1(C)CC2CC2C1
InChIInChI=1S/C14H26/c1-3-4-5-6-7-8-14(2)10-12-9-13(12)11-14/h12-13H,3-11H2,1-2H3
InChIKeyKMCFZEDOAZVYRG-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-heptyl-3-methylbicyclo[3.1.0]hexane?
The IUPAC name of 3-heptyl-3-methylbicyclo[3.1.0]hexane (CID 163714426) is 3-heptyl-3-methylbicyclo[3.1.0]hexane.
What is the SMILES notation for 3-heptyl-3-methylbicyclo[3.1.0]hexane?
The canonical SMILES for 3-heptyl-3-methylbicyclo[3.1.0]hexane is CCCCCCCC1(C)CC2CC2C1.
What is the InChIKey of 3-heptyl-3-methylbicyclo[3.1.0]hexane?
The InChIKey is KMCFZEDOAZVYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-3-4-5-6-7-8-14(2)10-12-9-13(12)11-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-heptyl-3-methylbicyclo[3.1.0]hexane?
3-heptyl-3-methylbicyclo[3.1.0]hexane has a molecular weight of 194.36 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-3-methylbicyclo[3.1.0]hexane is sourced from PubChem (CID 163714426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).