1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane

C15H28 — CID 141208854

IUPAC1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane
SMILESCCC=C(C)CCC1CCC(C)C1(C)C
InChIInChI=1S/C15H28/c1-6-7-12(2)8-10-14-11-9-13(3)15(14,4)5/h7,13-14H,6,8-11H2,1-5H3
InChIKeyJZLNWRHYXJABEA-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.20
Rot. Bonds4

About 1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane

1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane (PubChem CID 141208854) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane.

Molecular Properties

Compound Name1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane
PubChem CID141208854
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane
SMILESCCC=C(C)CCC1CCC(C)C1(C)C
InChIInChI=1S/C15H28/c1-6-7-12(2)8-10-14-11-9-13(3)15(14,4)5/h7,13-14H,6,8-11H2,1-5H3
InChIKeyJZLNWRHYXJABEA-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.20
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

ethane;2-methylidene-4-(2,2,3-trimethylcyclopentyl)butan-1-ol
CID 155737332
ethene;2-ethyl-1,1,5-trimethylcyclopentane
CID 142858344
3,3-dimethyl-2-[(Z)-3-methylhex-3-enyl]cyclopentan-1-ol;propane
CID 142946638
ethane;2-ethyl-1,1,5-trimethylcyclopentane;prop-2-en-1-ol
CID 155738188
2-(3,3-dimethylbutyl)-1,1,5-trimethylcyclopentane
CID 140575745
(5R)-1,1,2-trimethyl-5-[(3S)-3-methylpentyl]cyclopentane
CID 145389253
[2-methyl-4-(2,2,3-trimethylcyclopentyl)but-2-enyl] acetate
CID 146572141
methyl 4-(2,2,3-trimethylcyclopentyl)butanoate
CID 102502301
(2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol
CID 11095605
4-methyl-6-[(1S)-2,2,3-trimethylcyclopentyl]hexan-3-one
CID 129088404
(2,2,3-trimethylcyclopentyl)methanamine
CID 55290108
2-(2,2,3-trimethylcyclopentyl)acetaldehyde
CID 22414255

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane?
The IUPAC name of 1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane (CID 141208854) is 1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane.
What is the SMILES notation for 1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane?
The canonical SMILES for 1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane is CCC=C(C)CCC1CCC(C)C1(C)C.
What is the InChIKey of 1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane?
The InChIKey is JZLNWRHYXJABEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-6-7-12(2)8-10-14-11-9-13(3)15(14,4)5/h7,13-14H,6,8-11H2,1-5H3.
What are the key properties of 1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane?
1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane has a molecular weight of 208.39 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-5-(3-methylhex-3-enyl)cyclopentane is sourced from PubChem (CID 141208854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).