1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane

C18H34 — CID 91318434

IUPAC1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane
SMILESCCCC=C(CC(C)CC)C1CCCC(C)CC1
InChIInChI=1S/C18H34/c1-5-7-10-18(14-15(3)6-2)17-11-8-9-16(4)12-13-17/h10,15-17H,5-9,11-14H2,1-4H3
InChIKeyALFLHFOLPPLRDS-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.37
Rot. Bonds6

About 1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane

1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane (PubChem CID 91318434) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane.

Molecular Properties

Compound Name1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane
PubChem CID91318434
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane
SMILESCCCC=C(CC(C)CC)C1CCCC(C)CC1
InChIInChI=1S/C18H34/c1-5-7-10-18(14-15(3)6-2)17-11-8-9-16(4)12-13-17/h10,15-17H,5-9,11-14H2,1-4H3
InChIKeyALFLHFOLPPLRDS-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.37
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

1,4-dimethylcyclohexane;3-methylpentane;propane
CID 91316763
2-methylbutane;methylcyclobutane
CID 57473841
butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane
CID 160734051
[(E)-hex-2-en-2-yl]cyclopropane
CID 23063598
(E)-1-cyclohexylpent-1-en-1-ol
CID 142446276
cyclohexane;cyclopentane;ethylcyclopropane;methanol;2-methylbutane;methylcyclobutane;methylcyclopentane;methylcyclopropane
CID 174801862
3-(3-methylpentanoylamino)cyclohexane-1-carboxylic acid
CID 114873705
butane;methylcyclopentane
CID 142053859
2-[(E)-hept-3-en-3-yl]-1,3-dithiane
CID 5372644
1-cyclobutyl-2-methylbutan-1-one
CID 79446135
(2S)-1-cyclobutyl-2-methylbutan-1-one
CID 142214969
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane?
The IUPAC name of 1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane (CID 91318434) is 1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane.
What is the SMILES notation for 1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane?
The canonical SMILES for 1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane is CCCC=C(CC(C)CC)C1CCCC(C)CC1.
What is the InChIKey of 1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane?
The InChIKey is ALFLHFOLPPLRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-5-7-10-18(14-15(3)6-2)17-11-8-9-16(4)12-13-17/h10,15-17H,5-9,11-14H2,1-4H3.
What are the key properties of 1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane?
1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane has a molecular weight of 250.47 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(7-methylnon-4-en-5-yl)cycloheptane is sourced from PubChem (CID 91318434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).