[3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane

C18H32 — CID 163545018

IUPAC[3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane
SMILESC=CC(CC1CC1)C(C1CCCC1)C(C)C(C)C
InChIInChI=1S/C18H32/c1-5-16(12-15-10-11-15)18(14(4)13(2)3)17-8-6-7-9-17/h5,13-18H,1,6-12H2,2-4H3
InChIKeyFEHQJRXZTIUXRR-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.69
Rot. Bonds7

About [3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane

[3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane (PubChem CID 163545018) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane
PubChem CID163545018
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name[3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane
SMILESC=CC(CC1CC1)C(C1CCCC1)C(C)C(C)C
InChIInChI=1S/C18H32/c1-5-16(12-15-10-11-15)18(14(4)13(2)3)17-8-6-7-9-17/h5,13-18H,1,6-12H2,2-4H3
InChIKeyFEHQJRXZTIUXRR-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2,3-dimethylbutyl]cyclopropane
CID 58368146
2,3-dimethylbutylcyclodecane
CID 123220792
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
(1-cyclopentyl-3,4-dimethylpentan-2-yl)hydrazine
CID 105299129
5-methylhept-6-en-2-ylcyclohexane
CID 145312672
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846
N-[(2S)-2,3-dimethylbutyl]cyclopentanamine
CID 59085010
1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane
CID 123921809
(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
CID 123633331
4-(2-methylbut-3-enyl)cyclohexan-1-amine
CID 166976466

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane?
The IUPAC name of [3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane (CID 163545018) is [3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane.
What is the SMILES notation for [3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane?
The canonical SMILES for [3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane is C=CC(CC1CC1)C(C1CCCC1)C(C)C(C)C.
What is the InChIKey of [3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane?
The InChIKey is FEHQJRXZTIUXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-5-16(12-15-10-11-15)18(14(4)13(2)3)17-8-6-7-9-17/h5,13-18H,1,6-12H2,2-4H3.
What are the key properties of [3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane?
[3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane has a molecular weight of 248.45 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)-5,6-dimethylhept-1-en-4-yl]cyclopentane is sourced from PubChem (CID 163545018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).