4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene

C20H36 — CID 145063390

IUPAC4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene
SMILESCC/C=C(/CCCCC)C(C)CCC1=CCC(C)CC1
InChIInChI=1S/C20H36/c1-5-7-8-10-20(9-6-2)18(4)13-16-19-14-11-17(3)12-15-19/h9,14,17-18H,5-8,10-13,15-16H2,1-4H3/b20-9-
InChIKeyABUCJHBYOZXYNR-UKWGHVSLSA-N
MW276.51 g/mol
LogP7.07
Rot. Bonds9

About 4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene

4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene (PubChem CID 145063390) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene.

Molecular Properties

Compound Name4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene
PubChem CID145063390
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene
SMILESCC/C=C(/CCCCC)C(C)CCC1=CCC(C)CC1
InChIInChI=1S/C20H36/c1-5-7-8-10-20(9-6-2)18(4)13-16-19-14-11-17(3)12-15-19/h9,14,17-18H,5-8,10-13,15-16H2,1-4H3/b20-9-
InChIKeyABUCJHBYOZXYNR-UKWGHVSLSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene
CID 169000974
1-nonyl-4-prop-2-enylcyclohexene
CID 175939867
butane;but-2-ene;bis(1,4-dimethylcyclohexene);ethane;hexane;(E)-hex-2-ene;methanol;methylboronic acid
CID 159821324
4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene
CID 170652574
ethyl 2-hydroxy-2-(4-methylcyclohexen-1-yl)acetate
CID 14954932
3-(4-butylcyclohexen-1-yl)(113C)propanal
CID 175712388
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626
2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 162745512
1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
CID 19987921
4-methylheptadec-3-ene
CID 59169426
(Z)-5-methyl-4-propylhept-3-ene
CID 145358469
2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene
CID 20500624

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene?
The IUPAC name of 4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene (CID 145063390) is 4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene.
What is the SMILES notation for 4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene?
The canonical SMILES for 4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene is CC/C=C(/CCCCC)C(C)CCC1=CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene?
The InChIKey is ABUCJHBYOZXYNR-UKWGHVSLSA-N. The full InChI is InChI=1S/C20H36/c1-5-7-8-10-20(9-6-2)18(4)13-16-19-14-11-17(3)12-15-19/h9,14,17-18H,5-8,10-13,15-16H2,1-4H3/b20-9-.
What are the key properties of 4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene?
4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene has a molecular weight of 276.51 g/mol, XLogP of 7.07, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4Z)-3-methyl-4-propylidenenonyl]cyclohexene is sourced from PubChem (CID 145063390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).