1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane

C16H28 — CID 163645446

IUPAC1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane
SMILESC=CC/C=C\CC(C)CC1(C)CCCCC1
InChIInChI=1S/C16H28/c1-4-5-6-8-11-15(2)14-16(3)12-9-7-10-13-16/h4,6,8,15H,1,5,7,9-14H2,2-3H3/b8-6-
InChIKeyIHVDBCPCJGKKPE-VURMDHGXSA-N
MW220.40 g/mol
LogP5.51
Rot. Bonds6

About 1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane

1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane (PubChem CID 163645446) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane
PubChem CID163645446
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane
SMILESC=CC/C=C\CC(C)CC1(C)CCCCC1
InChIInChI=1S/C16H28/c1-4-5-6-8-11-15(2)14-16(3)12-9-7-10-13-16/h4,6,8,15H,1,5,7,9-14H2,2-3H3/b8-6-
InChIKeyIHVDBCPCJGKKPE-VURMDHGXSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-(2-methylbutyl)cyclopentane
CID 123846035
2-(1-methylcyclohexyl)ethane-1,1-diol
CID 59872782
(4E,8E)-7-methyldeca-1,4,8-triene
CID 20695287
8-methylnona-1,5-diene
CID 54303226
butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene
CID 158518430
CID 91351706
CID 91351706
1-methyl-1-(3-methylhexyl)cyclohexane
CID 154522496
1-methyl-1-(2-propan-2-ylpentyl)cyclopentane
CID 147209819
(4Z)-dodeca-1,4-diene
CID 12525542
trideca-1,4,11-triene
CID 172759150
pentadeca-1,4,9-triene
CID 174048539
1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane
CID 158706350

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane?
The IUPAC name of 1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane (CID 163645446) is 1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane.
What is the SMILES notation for 1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane?
The canonical SMILES for 1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane is C=CC/C=C\CC(C)CC1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane?
The InChIKey is IHVDBCPCJGKKPE-VURMDHGXSA-N. The full InChI is InChI=1S/C16H28/c1-4-5-6-8-11-15(2)14-16(3)12-9-7-10-13-16/h4,6,8,15H,1,5,7,9-14H2,2-3H3/b8-6-.
What are the key properties of 1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane?
1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane has a molecular weight of 220.40 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(4Z)-2-methylocta-4,7-dienyl]cyclohexane is sourced from PubChem (CID 163645446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).