5-heptyl-1-methylbicyclo[5.1.0]octane

C16H30 — CID 143295924

IUPAC5-heptyl-1-methylbicyclo[5.1.0]octane
SMILESCCCCCCCC1CCCC2(C)CC2C1
InChIInChI=1S/C16H30/c1-3-4-5-6-7-9-14-10-8-11-16(2)13-15(16)12-14/h14-15H,3-13H2,1-2H3
InChIKeyWGBROXMNIIVZBQ-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.56
Rot. Bonds6

About 5-heptyl-1-methylbicyclo[5.1.0]octane

5-heptyl-1-methylbicyclo[5.1.0]octane (PubChem CID 143295924) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 5-heptyl-1-methylbicyclo[5.1.0]octane.

Molecular Properties

Compound Name5-heptyl-1-methylbicyclo[5.1.0]octane
PubChem CID143295924
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name5-heptyl-1-methylbicyclo[5.1.0]octane
SMILESCCCCCCCC1CCCC2(C)CC2C1
InChIInChI=1S/C16H30/c1-3-4-5-6-7-9-14-10-8-11-16(2)13-15(16)12-14/h14-15H,3-13H2,1-2H3
InChIKeyWGBROXMNIIVZBQ-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.56
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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Related Compounds

1,3-diheptylcyclohexane
CID 19973333
1,3-dipentylcyclohexane
CID 54105663
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
tetradecylcyclododecane
CID 169026037
ethene;pentylcyclopentane
CID 145442606
octylcyclotetradecane
CID 175261841
1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
1-bromo-3-hexylcycloheptane
CID 64508523
1-chloro-3-octylcycloheptane
CID 64508409
3-heptylcyclohexan-1-ol
CID 64515801

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-1-methylbicyclo[5.1.0]octane?
The IUPAC name of 5-heptyl-1-methylbicyclo[5.1.0]octane (CID 143295924) is 5-heptyl-1-methylbicyclo[5.1.0]octane.
What is the SMILES notation for 5-heptyl-1-methylbicyclo[5.1.0]octane?
The canonical SMILES for 5-heptyl-1-methylbicyclo[5.1.0]octane is CCCCCCCC1CCCC2(C)CC2C1.
What is the InChIKey of 5-heptyl-1-methylbicyclo[5.1.0]octane?
The InChIKey is WGBROXMNIIVZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-3-4-5-6-7-9-14-10-8-11-16(2)13-15(16)12-14/h14-15H,3-13H2,1-2H3.
What are the key properties of 5-heptyl-1-methylbicyclo[5.1.0]octane?
5-heptyl-1-methylbicyclo[5.1.0]octane has a molecular weight of 222.42 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-1-methylbicyclo[5.1.0]octane is sourced from PubChem (CID 143295924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).