1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene

C12H20 — CID 143950149

IUPAC1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene
SMILESC=CCC1CC=C(CC)C1(C)C
InChIInChI=1S/C12H20/c1-5-7-11-9-8-10(6-2)12(11,3)4/h5,8,11H,1,6-7,9H2,2-4H3
InChIKeyIEYNEVHXUWJTDQ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds3

About 1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene

1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene (PubChem CID 143950149) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene.

Molecular Properties

Compound Name1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene
PubChem CID143950149
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene
SMILESC=CCC1CC=C(CC)C1(C)C
InChIInChI=1S/C12H20/c1-5-7-11-9-8-10(6-2)12(11,3)4/h5,8,11H,1,6-7,9H2,2-4H3
InChIKeyIEYNEVHXUWJTDQ-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.94
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

1,1-dimethyl-2-prop-2-enylcyclopropane
CID 534921
(2E)-2-[2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylidene]pent-4-en-1-ol
CID 69264641
(2E)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pent-4-en-1-ol
CID 69265102
(2E)-2-[2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethylidene]pent-4-enal
CID 87758998
methyl 3-[(4R)-5,5-dimethyl-4-(2-oxoethyl)cyclopenten-1-yl]-2-methylpropanoate
CID 15463300
(E)-2-ethyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]but-2-enal
CID 87757907
2-ethyl-4-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]but-2-enal
CID 57290420
(E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol
CID 6437265
1,5,5-trimethyl-4-propylcyclopentene
CID 90979763
2-(4,6,6-trimethylcyclohex-3-en-1-yl)acetaldehyde
CID 15001755
(4S)-4-[(E)-3-(methoxymethyl)pent-2-enyl]-1,5,5-trimethylcyclopentene
CID 71052060
3-ethoxy-2-methyl-5-prop-2-enylcyclohexa-1,3-diene
CID 121419445

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene?
The IUPAC name of 1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene (CID 143950149) is 1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene.
What is the SMILES notation for 1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene?
The canonical SMILES for 1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene is C=CCC1CC=C(CC)C1(C)C.
What is the InChIKey of 1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene?
The InChIKey is IEYNEVHXUWJTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-7-11-9-8-10(6-2)12(11,3)4/h5,8,11H,1,6-7,9H2,2-4H3.
What are the key properties of 1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene?
1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene has a molecular weight of 164.29 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,5-dimethyl-4-prop-2-enylcyclopentene is sourced from PubChem (CID 143950149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).