1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene

C14H26 — CID 91102839

IUPAC1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene
SMILESCCC(C)CCC1CC=C(C)C1(C)C
InChIInChI=1S/C14H26/c1-6-11(2)7-9-13-10-8-12(3)14(13,4)5/h8,11,13H,6-7,9-10H2,1-5H3
InChIKeyYRILEURMKYHART-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.81
Rot. Bonds4

About 1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene

1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene (PubChem CID 91102839) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene.

Molecular Properties

Compound Name1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene
PubChem CID91102839
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene
SMILESCCC(C)CCC1CC=C(C)C1(C)C
InChIInChI=1S/C14H26/c1-6-11(2)7-9-13-10-8-12(3)14(13,4)5/h8,11,13H,6-7,9-10H2,1-5H3
InChIKeyYRILEURMKYHART-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.81
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

(+-)-alpha-Pinene
CID 6654
(-)-Caryophyllene
CID 5281515
alpha-Pinene, (+)-
CID 82227
(-)-alpha-Pinene
CID 440968
3-Carene
CID 26049
Valencene
CID 9855795
(+)-3-Carene
CID 443156
delta-Cadinene
CID 441005
(-)-Isocaryophyllene
CID 5281522
Elemene
CID 12309449
Alpha-muurolene, (-)-
CID 12306047
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369

Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene?
The IUPAC name of 1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene (CID 91102839) is 1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene.
What is the SMILES notation for 1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene?
The canonical SMILES for 1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene is CCC(C)CCC1CC=C(C)C1(C)C.
What is the InChIKey of 1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene?
The InChIKey is YRILEURMKYHART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-6-11(2)7-9-13-10-8-12(3)14(13,4)5/h8,11,13H,6-7,9-10H2,1-5H3.
What are the key properties of 1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene?
1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene has a molecular weight of 194.36 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene is sourced from PubChem (CID 91102839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).