1-hexyl-4-methyl-2-methylidenecyclopentane

C13H24 — CID 143150354

IUPAC1-hexyl-4-methyl-2-methylidenecyclopentane
SMILESC=C1CC(C)CC1CCCCCC
InChIInChI=1S/C13H24/c1-4-5-6-7-8-13-10-11(2)9-12(13)3/h11,13H,3-10H2,1-2H3
InChIKeyLIZMANOKSJSSPO-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds5

About 1-hexyl-4-methyl-2-methylidenecyclopentane

1-hexyl-4-methyl-2-methylidenecyclopentane (PubChem CID 143150354) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-hexyl-4-methyl-2-methylidenecyclopentane.

Molecular Properties

Compound Name1-hexyl-4-methyl-2-methylidenecyclopentane
PubChem CID143150354
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-hexyl-4-methyl-2-methylidenecyclopentane
SMILESC=C1CC(C)CC1CCCCCC
InChIInChI=1S/C13H24/c1-4-5-6-7-8-13-10-11(2)9-12(13)3/h11,13H,3-10H2,1-2H3
InChIKeyLIZMANOKSJSSPO-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-2-methylidenecyclopropane
CID 173435427
cis-methyl (1R,4R)-3-methylidene-4-pentylcyclopentane-1-carboxylate
CID 22214630
2-decyl-4-methylcyclohexan-1-one
CID 55185770
2-pentadecylcyclopropan-1-one
CID 70874004
1-methyl-2-pentadecylcyclopropane
CID 54385825
N,5-dimethyl-3-octyloxolan-2-imine
CID 155084362
4-hexyl-5-methylideneoxolan-2-one
CID 46219169
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
1-ethylidene-2-nonylcyclopropane
CID 123774367
5-methyl-3-nonyloxolan-2-one
CID 143081065
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-methyl-2-methylidenecyclopentane?
The IUPAC name of 1-hexyl-4-methyl-2-methylidenecyclopentane (CID 143150354) is 1-hexyl-4-methyl-2-methylidenecyclopentane.
What is the SMILES notation for 1-hexyl-4-methyl-2-methylidenecyclopentane?
The canonical SMILES for 1-hexyl-4-methyl-2-methylidenecyclopentane is C=C1CC(C)CC1CCCCCC.
What is the InChIKey of 1-hexyl-4-methyl-2-methylidenecyclopentane?
The InChIKey is LIZMANOKSJSSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-5-6-7-8-13-10-11(2)9-12(13)3/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-hexyl-4-methyl-2-methylidenecyclopentane?
1-hexyl-4-methyl-2-methylidenecyclopentane has a molecular weight of 180.33 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-methyl-2-methylidenecyclopentane is sourced from PubChem (CID 143150354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).