1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene

C13H20 — CID 142010020

IUPAC1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene
SMILESC=CC1=C(/C=C(/C)CC)CCCC1
InChIInChI=1S/C13H20/c1-4-11(3)10-13-9-7-6-8-12(13)5-2/h5,10H,2,4,6-9H2,1,3H3/b11-10-
InChIKeyLRKHOUAXIDELMW-KHPPLWFESA-N
MW176.30 g/mol
LogP4.40
Rot. Bonds3

About 1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene

1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene (PubChem CID 142010020) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene.

Molecular Properties

Compound Name1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene
PubChem CID142010020
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene
SMILESC=CC1=C(/C=C(/C)CC)CCCC1
InChIInChI=1S/C13H20/c1-4-11(3)10-13-9-7-6-8-12(13)5-2/h5,10H,2,4,6-9H2,1,3H3/b11-10-
InChIKeyLRKHOUAXIDELMW-KHPPLWFESA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;N-(2-ethenylcyclohepten-1-yl)methanimine
CID 143180659
1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one
CID 143925626
1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen
CID 143925702
1-ethenyl-2-methylcyclopentene
CID 123848216
(2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium
CID 163266347
methane;(Z)-3-methylpent-2-ene;prop-1-ene
CID 142993133
5-ethenyl-1-methyl-4-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyridine
CID 166683546
2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene
CID 143209894
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane
CID 145445836
(2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione
CID 126606796
1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol
CID 121015901

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene?
The IUPAC name of 1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene (CID 142010020) is 1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene.
What is the SMILES notation for 1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene?
The canonical SMILES for 1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene is C=CC1=C(/C=C(/C)CC)CCCC1.
What is the InChIKey of 1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene?
The InChIKey is LRKHOUAXIDELMW-KHPPLWFESA-N. The full InChI is InChI=1S/C13H20/c1-4-11(3)10-13-9-7-6-8-12(13)5-2/h5,10H,2,4,6-9H2,1,3H3/b11-10-.
What are the key properties of 1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene?
1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene has a molecular weight of 176.30 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene is sourced from PubChem (CID 142010020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).