7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane

C16H30 — CID 123600415

IUPAC7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane
SMILESCCCCCC12CCCCC1C2CC(C)C
InChIInChI=1S/C16H30/c1-4-5-7-10-16-11-8-6-9-14(16)15(16)12-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyFHDVFOGSNMHFME-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds6

About 7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane

7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane (PubChem CID 123600415) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane
PubChem CID123600415
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane
SMILESCCCCCC12CCCCC1C2CC(C)C
InChIInChI=1S/C16H30/c1-4-5-7-10-16-11-8-6-9-14(16)15(16)12-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyFHDVFOGSNMHFME-UHFFFAOYSA-N
XLogP5.42
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 ≤ 55.42
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

7-heptylbicyclo[4.1.0]heptan-7-ol
CID 79331994
8-methyl-8-pentyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 175589462
1-methyl-2-(2-methylpropyl)cyclohexane;nonane
CID 142044958
1,2-dichloro-1-pentylcyclohexane
CID 174750569
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
4-[(4aR,8aS)-8a-butyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]cyclohexane-1-carbonitrile
CID 22825773
1-butyl-2-methyl-1-propan-2-ylcyclohexane
CID 174787138
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
1,1-dioctylcyclopentane
CID 54295272
1,1-dipentylcyclononane
CID 169026027
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane?
The IUPAC name of 7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane (CID 123600415) is 7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane.
What is the SMILES notation for 7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane?
The canonical SMILES for 7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane is CCCCCC12CCCCC1C2CC(C)C.
What is the InChIKey of 7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane?
The InChIKey is FHDVFOGSNMHFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-4-5-7-10-16-11-8-6-9-14(16)15(16)12-13(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of 7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane?
7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane has a molecular weight of 222.42 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-1-pentylbicyclo[4.1.0]heptane is sourced from PubChem (CID 123600415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).