1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane

C12H20 — CID 90888982

IUPAC1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane
SMILESC=CC1(CC=C(C)C)CCCC1
InChIInChI=1S/C12H20/c1-4-12(8-5-6-9-12)10-7-11(2)3/h4,7H,1,5-6,8-10H2,2-3H3
InChIKeyQRQYWYPDMMUTBN-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds3

About 1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane

1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane (PubChem CID 90888982) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane.

Molecular Properties

Compound Name1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane
PubChem CID90888982
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane
SMILESC=CC1(CC=C(C)C)CCCC1
InChIInChI=1S/C12H20/c1-4-12(8-5-6-9-12)10-7-11(2)3/h4,7H,1,5-6,8-10H2,2-3H3
InChIKeyQRQYWYPDMMUTBN-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
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-(3-methylbut-2-enyl)cyclohexyl]methanol
CID 121012756
3-(3-methylbut-2-enyl)oxane-3-carbaldehyde
CID 130640340
1-ethenyl-1-(methylsulfanylmethyl)cyclooctane
CID 123995657
2-(1-ethenylcyclopentyl)acetic acid
CID 19822506
1-butyl-1-ethenylcyclohexane
CID 158478687
formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde
CID 87279246
4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde
CID 130743601
1-[1-(3-methylbut-2-enyl)cyclohexyl]propan-1-one
CID 59350170
[1-(3-methylbut-2-enyl)cyclopropyl]methanamine
CID 130515255
3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one
CID 91128613
(1S)-1-[1-(3-methylbut-2-enyl)cyclobutyl]propan-1-ol
CID 68614033
1-(2-methylprop-2-enyl)cyclopentane-1-carbaldehyde
CID 130730351

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane?
The IUPAC name of 1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane (CID 90888982) is 1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane.
What is the SMILES notation for 1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane?
The canonical SMILES for 1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane is C=CC1(CC=C(C)C)CCCC1.
What is the InChIKey of 1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane?
The InChIKey is QRQYWYPDMMUTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-12(8-5-6-9-12)10-7-11(2)3/h4,7H,1,5-6,8-10H2,2-3H3.
What are the key properties of 1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane?
1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane has a molecular weight of 164.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane is sourced from PubChem (CID 90888982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).