2-methyl-7-pentylbicyclo[3.2.0]heptane

C13H24 — CID 91211624

IUPAC2-methyl-7-pentylbicyclo[3.2.0]heptane
SMILESCCCCCC1CC2CCC(C)C12
InChIInChI=1S/C13H24/c1-3-4-5-6-11-9-12-8-7-10(2)13(11)12/h10-13H,3-9H2,1-2H3
InChIKeyNYWKDLDDZGBRBX-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.25
Rot. Bonds4

About 2-methyl-7-pentylbicyclo[3.2.0]heptane

2-methyl-7-pentylbicyclo[3.2.0]heptane (PubChem CID 91211624) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2-methyl-7-pentylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2-methyl-7-pentylbicyclo[3.2.0]heptane
PubChem CID91211624
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2-methyl-7-pentylbicyclo[3.2.0]heptane
SMILESCCCCCC1CC2CCC(C)C12
InChIInChI=1S/C13H24/c1-3-4-5-6-11-9-12-8-7-10(2)13(11)12/h10-13H,3-9H2,1-2H3
InChIKeyNYWKDLDDZGBRBX-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.25
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-methyl-2-pentadecylcyclopropane
CID 54385825
1-decyl-2-methylcyclohexane
CID 123746851
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
2-methyl-6-propylbicyclo[2.2.0]hexane
CID 123694094
1-ethyl-3-methyl-2-pentylcyclopentane
CID 91079962
3-ethyl-1-hexyl-4-methyl-2-propylcyclohexane
CID 123913316
1-hexyl-2-undecylcyclopropane
CID 58049498
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
1,2-dioctylcyclopropane
CID 21337627
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
2-methyl-4-pentylcyclobutan-1-amine
CID 138495120

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-pentylbicyclo[3.2.0]heptane?
The IUPAC name of 2-methyl-7-pentylbicyclo[3.2.0]heptane (CID 91211624) is 2-methyl-7-pentylbicyclo[3.2.0]heptane.
What is the SMILES notation for 2-methyl-7-pentylbicyclo[3.2.0]heptane?
The canonical SMILES for 2-methyl-7-pentylbicyclo[3.2.0]heptane is CCCCCC1CC2CCC(C)C12.
What is the InChIKey of 2-methyl-7-pentylbicyclo[3.2.0]heptane?
The InChIKey is NYWKDLDDZGBRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-3-4-5-6-11-9-12-8-7-10(2)13(11)12/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-methyl-7-pentylbicyclo[3.2.0]heptane?
2-methyl-7-pentylbicyclo[3.2.0]heptane has a molecular weight of 180.33 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-pentylbicyclo[3.2.0]heptane is sourced from PubChem (CID 91211624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).