1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane

C17H28 — CID 142012906

IUPAC1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane
SMILESC=C(C)/C=C\C(=C)C(C)(C)C1CCC(C)CC1
InChIInChI=1S/C17H28/c1-13(2)7-10-15(4)17(5,6)16-11-8-14(3)9-12-16/h7,10,14,16H,1,4,8-9,11-12H2,2-3,5-6H3/b10-7-
InChIKeyDJVORLUHMADVEM-YFHOEESVSA-N
MW232.41 g/mol
LogP5.53
Rot. Bonds4

About 1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane

1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane (PubChem CID 142012906) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane
PubChem CID142012906
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane
SMILESC=C(C)/C=C\C(=C)C(C)(C)C1CCC(C)CC1
InChIInChI=1S/C17H28/c1-13(2)7-10-15(4)17(5,6)16-11-8-14(3)9-12-16/h7,10,14,16H,1,4,8-9,11-12H2,2-3,5-6H3/b10-7-
InChIKeyDJVORLUHMADVEM-YFHOEESVSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.53
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

1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane
CID 90899580
1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
CID 154678997
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
3-cyclopropyl-3-methylbut-1-en-2-amine
CID 138648068
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 160612898
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane;molecular hydrogen
CID 160718193
1-tert-butyl-4-methylcyclohexane;ethane;methane
CID 143180692
1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 70917025
2-(4-methylcyclohexyl)propan-2-yl 3-methyl-2-methylidenebutanoate
CID 89042556
1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene
CID 143048416

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane?
The IUPAC name of 1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane (CID 142012906) is 1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane.
What is the SMILES notation for 1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane?
The canonical SMILES for 1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane is C=C(C)/C=C\C(=C)C(C)(C)C1CCC(C)CC1.
What is the InChIKey of 1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane?
The InChIKey is DJVORLUHMADVEM-YFHOEESVSA-N. The full InChI is InChI=1S/C17H28/c1-13(2)7-10-15(4)17(5,6)16-11-8-14(3)9-12-16/h7,10,14,16H,1,4,8-9,11-12H2,2-3,5-6H3/b10-7-.
What are the key properties of 1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane?
1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane has a molecular weight of 232.41 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-yl]-4-methylcyclohexane is sourced from PubChem (CID 142012906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).