1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene

C12H18 — CID 144706581

IUPAC1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene
SMILESC=C/C=C\C1=C(C)C(C)CCC1
InChIInChI=1S/C12H18/c1-4-5-8-12-9-6-7-10(2)11(12)3/h4-5,8,10H,1,6-7,9H2,2-3H3/b8-5-
InChIKeyHGPXXYPZYRFZDG-YVMONPNESA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds2

About 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene

1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene (PubChem CID 144706581) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene.

Molecular Properties

Compound Name1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene
PubChem CID144706581
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene
SMILESC=C/C=C\C1=C(C)C(C)CCC1
InChIInChI=1S/C12H18/c1-4-5-8-12-9-6-7-10(2)11(12)3/h4-5,8,10H,1,6-7,9H2,2-3H3/b8-5-
InChIKeyHGPXXYPZYRFZDG-YVMONPNESA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene
CID 145347236
(5E,6E)-5-(1-bromoprop-2-enylidene)-6-hexan-3-ylidenecyclohexa-1,3-diene;1-[(1Z,3E)-hexa-1,3-dienyl]-2,3-dimethylcyclohexene
CID 176958286
1-buta-1,3-dienyl-2-methylcycloocta-1,5-diene
CID 173320452
3-[(1Z)-buta-1,3-dienyl]-2-methyltricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene
CID 143323284
(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene
CID 170619549
1,2,3,4,5-pentamethylcycloocta-1,3-diene
CID 175510091
1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene
CID 126687455
2,3,4-trimethylcyclohept-2-en-1-one
CID 154209832
N-[2-[(1Z)-buta-1,3-dienyl]-3-methylcyclohex-2-en-1-yl]formamide
CID 143584516
N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine
CID 177053862
N-(2,6-dimethylcyclohexen-1-yl)methanimine
CID 163586439
1,2,3,6-tetramethylcyclohexene
CID 21243938

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene?
The IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene (CID 144706581) is 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene.
What is the SMILES notation for 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene?
The canonical SMILES for 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene is C=C/C=C\C1=C(C)C(C)CCC1.
What is the InChIKey of 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene?
The InChIKey is HGPXXYPZYRFZDG-YVMONPNESA-N. The full InChI is InChI=1S/C12H18/c1-4-5-8-12-9-6-7-10(2)11(12)3/h4-5,8,10H,1,6-7,9H2,2-3H3/b8-5-.
What are the key properties of 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene?
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene has a molecular weight of 162.28 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene is sourced from PubChem (CID 144706581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).