3-but-1-en-2-yl-1,4-dimethylcyclohexene

C12H20 — CID 143054274

IUPAC3-but-1-en-2-yl-1,4-dimethylcyclohexene
SMILESC=C(CC)C1C=C(C)CCC1C
InChIInChI=1S/C12H20/c1-5-10(3)12-8-9(2)6-7-11(12)4/h8,11-12H,3,5-7H2,1-2,4H3
InChIKeyQWBOHZWHUBJXJK-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds2

About 3-but-1-en-2-yl-1,4-dimethylcyclohexene

3-but-1-en-2-yl-1,4-dimethylcyclohexene (PubChem CID 143054274) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 3-but-1-en-2-yl-1,4-dimethylcyclohexene.

Molecular Properties

Compound Name3-but-1-en-2-yl-1,4-dimethylcyclohexene
PubChem CID143054274
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name3-but-1-en-2-yl-1,4-dimethylcyclohexene
SMILESC=C(CC)C1C=C(C)CCC1C
InChIInChI=1S/C12H20/c1-5-10(3)12-8-9(2)6-7-11(12)4/h8,11-12H,3,5-7H2,1-2,4H3
InChIKeyQWBOHZWHUBJXJK-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

(4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene
CID 167459403
(E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol
CID 146332786
5-but-1-en-2-yl-2-methylcyclohexan-1-ol
CID 176942654
(1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane
CID 143590752
2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-[(6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-4-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3,5-triol
CID 155605936
1-methyl-3-propan-2-yl-4-prop-1-en-2-ylcyclohexene
CID 164823241
2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)acetaldehyde
CID 146512478
5-ethyl-1,3-dimethylcycloheptene
CID 143264221
(3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate
CID 90261977
4-butyl-1,3-dimethylcyclohexene;methanol
CID 20561551
(1R,2E,6E,10E,14S)-14-(3-hydroxyprop-1-en-2-yl)-3,7,11-trimethylcyclotetradeca-2,6,10-trien-1-ol
CID 134774359
3-methylcyclohex-2-en-1-ol;propane
CID 142858327

Frequently Asked Questions

What is the IUPAC name of 3-but-1-en-2-yl-1,4-dimethylcyclohexene?
The IUPAC name of 3-but-1-en-2-yl-1,4-dimethylcyclohexene (CID 143054274) is 3-but-1-en-2-yl-1,4-dimethylcyclohexene.
What is the SMILES notation for 3-but-1-en-2-yl-1,4-dimethylcyclohexene?
The canonical SMILES for 3-but-1-en-2-yl-1,4-dimethylcyclohexene is C=C(CC)C1C=C(C)CCC1C.
What is the InChIKey of 3-but-1-en-2-yl-1,4-dimethylcyclohexene?
The InChIKey is QWBOHZWHUBJXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-10(3)12-8-9(2)6-7-11(12)4/h8,11-12H,3,5-7H2,1-2,4H3.
What are the key properties of 3-but-1-en-2-yl-1,4-dimethylcyclohexene?
3-but-1-en-2-yl-1,4-dimethylcyclohexene has a molecular weight of 164.29 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-en-2-yl-1,4-dimethylcyclohexene is sourced from PubChem (CID 143054274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).