[(E)-4,4-dimethylpent-2-enyl]cyclopentane

C12H22 — CID 158566711

IUPAC[(E)-4,4-dimethylpent-2-enyl]cyclopentane
SMILESCC(C)(C)/C=C/CC1CCCC1
InChIInChI=1S/C12H22/c1-12(2,3)10-6-9-11-7-4-5-8-11/h6,10-11H,4-5,7-9H2,1-3H3/b10-6+
InChIKeyMUAPXTQUABNMSG-UXBLZVDNSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds2

About [(E)-4,4-dimethylpent-2-enyl]cyclopentane

[(E)-4,4-dimethylpent-2-enyl]cyclopentane (PubChem CID 158566711) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is [(E)-4,4-dimethylpent-2-enyl]cyclopentane.

Molecular Properties

Compound Name[(E)-4,4-dimethylpent-2-enyl]cyclopentane
PubChem CID158566711
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name[(E)-4,4-dimethylpent-2-enyl]cyclopentane
SMILESCC(C)(C)/C=C/CC1CCCC1
InChIInChI=1S/C12H22/c1-12(2,3)10-6-9-11-7-4-5-8-11/h6,10-11H,4-5,7-9H2,1-3H3/b10-6+
InChIKeyMUAPXTQUABNMSG-UXBLZVDNSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.17
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

3,5,5-Trimethylcyclohexene
CID 79132
3,3,5-Trimethylcyclohexene
CID 79031
3-Propyl-1-cyclopentene
CID 36671
3-Ethylcyclopentene
CID 79095
Cyclohexene, 3-propyl-
CID 138092
1-Methyl-3-(2-methyl-1-propenyl)cyclopentane
CID 522602
(3Z)-9-Methyl-3-undecene
CID 550666
4-t-Pentylcyclohexene
CID 551432
1-Undecylcyclopent-2-ene
CID 329680
3-Ethylcyclohex-1-ene
CID 137724
3-Butylcyclohex-1-ene
CID 138093
3-(2-Propenyl)cyclopentene
CID 139785

Frequently Asked Questions

What is the IUPAC name of [(E)-4,4-dimethylpent-2-enyl]cyclopentane?
The IUPAC name of [(E)-4,4-dimethylpent-2-enyl]cyclopentane (CID 158566711) is [(E)-4,4-dimethylpent-2-enyl]cyclopentane.
What is the SMILES notation for [(E)-4,4-dimethylpent-2-enyl]cyclopentane?
The canonical SMILES for [(E)-4,4-dimethylpent-2-enyl]cyclopentane is CC(C)(C)/C=C/CC1CCCC1.
What is the InChIKey of [(E)-4,4-dimethylpent-2-enyl]cyclopentane?
The InChIKey is MUAPXTQUABNMSG-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H22/c1-12(2,3)10-6-9-11-7-4-5-8-11/h6,10-11H,4-5,7-9H2,1-3H3/b10-6+.
What are the key properties of [(E)-4,4-dimethylpent-2-enyl]cyclopentane?
[(E)-4,4-dimethylpent-2-enyl]cyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4,4-dimethylpent-2-enyl]cyclopentane is sourced from PubChem (CID 158566711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).