1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene

C12H20 — CID 5314041

IUPAC1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene
SMILESC/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C12H20/c1-5-7-11-10(2)8-6-9-12(11,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+
InChIKeyGOGKMVDOGJGYLV-FNORWQNLSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds1

About 1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene

1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene (PubChem CID 5314041) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene.

Molecular Properties

Compound Name1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene
PubChem CID5314041
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene
SMILESC/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C12H20/c1-5-7-11-10(2)8-6-9-12(11,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+
InChIKeyGOGKMVDOGJGYLV-FNORWQNLSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

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Related Compounds

Beta-Carotene
CID 5280489
Beta-Phellandrene
CID 11142
Elemene
CID 12309449
Alpha-Carotene
CID 6419725
Torulene
CID 5281253
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
Axerophthene
CID 5287722
(6E)-6-((2E,4E,6E)-3,7-Dimethyl-2,4,6,8-nonatetraen-1-ylidene)-1,5,5-trimethylcyclohexene
CID 5287678
(-)-beta-Phellandrene
CID 443161
Sesquiphellandrene
CID 519764
delta-Selinene
CID 520383
gamma-Carotene
CID 5280791

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene?
The IUPAC name of 1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene (CID 5314041) is 1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene.
What is the SMILES notation for 1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene?
The canonical SMILES for 1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene is C/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene?
The InChIKey is GOGKMVDOGJGYLV-FNORWQNLSA-N. The full InChI is InChI=1S/C12H20/c1-5-7-11-10(2)8-6-9-12(11,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+.
What are the key properties of 1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene?
1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene has a molecular weight of 164.29 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene is sourced from PubChem (CID 5314041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).