4-methylpenta-1,3-dien-2-ylcyclohexane

C12H20 — CID 145299329

IUPAC4-methylpenta-1,3-dien-2-ylcyclohexane
SMILESC=C(C=C(C)C)C1CCCCC1
InChIInChI=1S/C12H20/c1-10(2)9-11(3)12-7-5-4-6-8-12/h9,12H,3-8H2,1-2H3
InChIKeyBHGSBUPGKZRRLD-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds2

About 4-methylpenta-1,3-dien-2-ylcyclohexane

4-methylpenta-1,3-dien-2-ylcyclohexane (PubChem CID 145299329) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4-methylpenta-1,3-dien-2-ylcyclohexane.

Molecular Properties

Compound Name4-methylpenta-1,3-dien-2-ylcyclohexane
PubChem CID145299329
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4-methylpenta-1,3-dien-2-ylcyclohexane
SMILESC=C(C=C(C)C)C1CCCCC1
InChIInChI=1S/C12H20/c1-10(2)9-11(3)12-7-5-4-6-8-12/h9,12H,3-8H2,1-2H3
InChIKeyBHGSBUPGKZRRLD-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
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

(3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane
CID 143467578
3-methylbuta-1,3-dien-2-ylcyclohexane
CID 123355728
hepta-1,3,5-trien-2-ylcyclohexane
CID 123932663
(5Z)-5-(1-cyclohexyl-3-methylbut-2-enylidene)-6-methylidenecyclohexa-1,3-diene
CID 143116178
3-prop-1-en-2-ylcyclododecan-1-ol
CID 24977822
ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane
CID 142052871
5-methylhexa-1,5-dien-2-ylcyclohexane
CID 123720137
3-cycloheptylbut-3-en-2-one
CID 89298761
methyl (2E,3E)-5-cyclooctyl-2-ethylidene-3-formylhexa-3,5-dienoate
CID 171098240
1-cyclohexylethanethione
CID 13294348
[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]cyclopentane
CID 143627221
ethane;[(3Z)-5-methylidenehepta-1,3-dien-2-yl]cyclopentane
CID 143163301

Frequently Asked Questions

What is the IUPAC name of 4-methylpenta-1,3-dien-2-ylcyclohexane?
The IUPAC name of 4-methylpenta-1,3-dien-2-ylcyclohexane (CID 145299329) is 4-methylpenta-1,3-dien-2-ylcyclohexane.
What is the SMILES notation for 4-methylpenta-1,3-dien-2-ylcyclohexane?
The canonical SMILES for 4-methylpenta-1,3-dien-2-ylcyclohexane is C=C(C=C(C)C)C1CCCCC1.
What is the InChIKey of 4-methylpenta-1,3-dien-2-ylcyclohexane?
The InChIKey is BHGSBUPGKZRRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-10(2)9-11(3)12-7-5-4-6-8-12/h9,12H,3-8H2,1-2H3.
What are the key properties of 4-methylpenta-1,3-dien-2-ylcyclohexane?
4-methylpenta-1,3-dien-2-ylcyclohexane has a molecular weight of 164.29 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpenta-1,3-dien-2-ylcyclohexane is sourced from PubChem (CID 145299329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).