1-methyl-5-(4-methylpent-4-enyl)cyclooctane

C15H28 — CID 123906241

IUPAC1-methyl-5-(4-methylpent-4-enyl)cyclooctane
SMILESC=C(C)CCCC1CCCC(C)CCC1
InChIInChI=1S/C15H28/c1-13(2)7-4-10-15-11-5-8-14(3)9-6-12-15/h14-15H,1,4-12H2,2-3H3
InChIKeySOIYQHASNMXXLC-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.34
Rot. Bonds4

About 1-methyl-5-(4-methylpent-4-enyl)cyclooctane

1-methyl-5-(4-methylpent-4-enyl)cyclooctane (PubChem CID 123906241) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-methyl-5-(4-methylpent-4-enyl)cyclooctane.

Molecular Properties

Compound Name1-methyl-5-(4-methylpent-4-enyl)cyclooctane
PubChem CID123906241
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-methyl-5-(4-methylpent-4-enyl)cyclooctane
SMILESC=C(C)CCCC1CCCC(C)CCC1
InChIInChI=1S/C15H28/c1-13(2)7-4-10-15-11-5-8-14(3)9-6-12-15/h14-15H,1,4-12H2,2-3H3
InChIKeySOIYQHASNMXXLC-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.34
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

8-methylnon-8-en-4-ynylcyclopentane
CID 123833434
1-methyl-4-pentylcycloheptane
CID 123318058
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CID 90354978
1-butyl-4-methylcyclooctane
CID 123623113
5-cyclopentylpentan-2-one
CID 18433881
1-methyl-5-propylcyclononane
CID 54361658
1-methyl-4-propylcycloheptane
CID 90967653
N-[(3E)-7-cyclobutyl-3-methylhepta-1,3-dien-4-yl]methanimine
CID 137419843
1-cyclohexyl-6-methylhept-6-en-3-ol
CID 115834468
5-cyclobutylpentylcyclobutane
CID 173228999
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
methanol;methylcyclopentane;prop-1-en-2-ol
CID 142006144

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylpent-4-enyl)cyclooctane?
The IUPAC name of 1-methyl-5-(4-methylpent-4-enyl)cyclooctane (CID 123906241) is 1-methyl-5-(4-methylpent-4-enyl)cyclooctane.
What is the SMILES notation for 1-methyl-5-(4-methylpent-4-enyl)cyclooctane?
The canonical SMILES for 1-methyl-5-(4-methylpent-4-enyl)cyclooctane is C=C(C)CCCC1CCCC(C)CCC1.
What is the InChIKey of 1-methyl-5-(4-methylpent-4-enyl)cyclooctane?
The InChIKey is SOIYQHASNMXXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-13(2)7-4-10-15-11-5-8-14(3)9-6-12-15/h14-15H,1,4-12H2,2-3H3.
What are the key properties of 1-methyl-5-(4-methylpent-4-enyl)cyclooctane?
1-methyl-5-(4-methylpent-4-enyl)cyclooctane has a molecular weight of 208.39 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylpent-4-enyl)cyclooctane is sourced from PubChem (CID 123906241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).