1-methyl-2-(5-methylheptyl)cycloheptane

C16H32 — CID 123996551

IUPAC1-methyl-2-(5-methylheptyl)cycloheptane
SMILESCCC(C)CCCCC1CCCCCC1C
InChIInChI=1S/C16H32/c1-4-14(2)10-8-9-13-16-12-7-5-6-11-15(16)3/h14-16H,4-13H2,1-3H3
InChIKeySDPZVUKCQLECSE-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.81
Rot. Bonds6

About 1-methyl-2-(5-methylheptyl)cycloheptane

1-methyl-2-(5-methylheptyl)cycloheptane (PubChem CID 123996551) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-methyl-2-(5-methylheptyl)cycloheptane.

Molecular Properties

Compound Name1-methyl-2-(5-methylheptyl)cycloheptane
PubChem CID123996551
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-methyl-2-(5-methylheptyl)cycloheptane
SMILESCCC(C)CCCCC1CCCCCC1C
InChIInChI=1S/C16H32/c1-4-14(2)10-8-9-13-16-12-7-5-6-11-15(16)3/h14-16H,4-13H2,1-3H3
InChIKeySDPZVUKCQLECSE-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(5-methylheptyl)cycloheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane
CID 143825239
1-(3,7-dimethylnonyl)-2-methylcyclopentane
CID 123956803
1-butyl-2-(16,21-dimethyldocosyl)cyclohexane;2,7,25,30-tetramethylhentriacontane;3,8,24,29-tetramethylhentriacontane
CID 160713587
1-decyl-2-methylcyclohexane
CID 123746851
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
1-methyl-2-nonylcycloheptane;2-methylpentanal
CID 174407340
7-methylnonylcyclopropane
CID 123906260
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
4-(2-methylcyclohexyl)butan-2-ol
CID 131147117
1-butyl-2-methylcyclopentane;ethane
CID 143661628
(6R)-2-[(10S)-11-[(6S,7S,12S)-11-[(2S)-2,3-dimethylcyclohexyl]-7-ethyl-6,12-dimethylcycloicosyl]-10-methylundecyl]-6-ethylcyclohexan-1-amine
CID 70829498
1-methyl-2-[3-[3-(2-methylcyclohexyl)propylsulfanyl]propyl]cyclohexane
CID 141375936

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5-methylheptyl)cycloheptane?
The IUPAC name of 1-methyl-2-(5-methylheptyl)cycloheptane (CID 123996551) is 1-methyl-2-(5-methylheptyl)cycloheptane.
What is the SMILES notation for 1-methyl-2-(5-methylheptyl)cycloheptane?
The canonical SMILES for 1-methyl-2-(5-methylheptyl)cycloheptane is CCC(C)CCCCC1CCCCCC1C.
What is the InChIKey of 1-methyl-2-(5-methylheptyl)cycloheptane?
The InChIKey is SDPZVUKCQLECSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-4-14(2)10-8-9-13-16-12-7-5-6-11-15(16)3/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-methyl-2-(5-methylheptyl)cycloheptane?
1-methyl-2-(5-methylheptyl)cycloheptane has a molecular weight of 224.43 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-methylheptyl)cycloheptane is sourced from PubChem (CID 123996551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).