(3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane

C18H30 — CID 143467578

IUPAC(3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane
SMILESC=C(/C=C\C)C1CCCCC1.C=C(C)/C=C/CC
InChIInChI=1S/C11H18.C7H12/c1-3-7-10(2)11-8-5-4-6-9-11;1-4-5-6-7(2)3/h3,7,11H,2,4-6,8-9H2,1H3;5-6H,2,4H2,1,3H3/b7-3-;6-5+
InChIKeyBBKSDIIYNAWAQW-GNJCOXQTSA-N
MW246.44 g/mol
LogP6.23
Rot. Bonds4

About (3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane

(3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane (PubChem CID 143467578) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is (3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane.

Molecular Properties

Compound Name(3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane
PubChem CID143467578
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name(3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane
SMILESC=C(/C=C\C)C1CCCCC1.C=C(C)/C=C/CC
InChIInChI=1S/C11H18.C7H12/c1-3-7-10(2)11-8-5-4-6-9-11;1-4-5-6-7(2)3/h3,7,11H,2,4-6,8-9H2,1H3;5-6H,2,4H2,1,3H3/b7-3-;6-5+
InChIKeyBBKSDIIYNAWAQW-GNJCOXQTSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.23
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

hepta-1,3,5-trien-2-ylcyclohexane
CID 123932663
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
[(3E)-nona-1,3-dien-2-yl]cyclohexane
CID 170590627
4-methylpenta-1,3-dien-2-ylcyclohexane
CID 145299329
(E)-1-cyclohexylpent-2-en-1-one
CID 88674755
ethane;[(3Z)-5-methylidenehepta-1,3-dien-2-yl]cyclopentane
CID 143163301
[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]cyclopentane
CID 143627221
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984
[(2Z,4Z)-6-methyl-1-nitrosohepta-2,4,6-trien-3-yl]cyclodecane
CID 155030355
cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol
CID 101161499

Frequently Asked Questions

What is the IUPAC name of (3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane?
The IUPAC name of (3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane (CID 143467578) is (3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane.
What is the SMILES notation for (3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane?
The canonical SMILES for (3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane is C=C(/C=C\C)C1CCCCC1.C=C(C)/C=C/CC.
What is the InChIKey of (3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane?
The InChIKey is BBKSDIIYNAWAQW-GNJCOXQTSA-N. The full InChI is InChI=1S/C11H18.C7H12/c1-3-7-10(2)11-8-5-4-6-9-11;1-4-5-6-7(2)3/h3,7,11H,2,4-6,8-9H2,1H3;5-6H,2,4H2,1,3H3/b7-3-;6-5+.
What are the key properties of (3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane?
(3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane has a molecular weight of 246.44 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methylhexa-1,3-diene;[(3Z)-penta-1,3-dien-2-yl]cyclohexane is sourced from PubChem (CID 143467578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).