1-methyl-2-(7-methyloctyl)cyclopropane

C13H26 — CID 123963548

IUPAC1-methyl-2-(7-methyloctyl)cyclopropane
SMILESCC(C)CCCCCCC1CC1C
InChIInChI=1S/C13H26/c1-11(2)8-6-4-5-7-9-13-10-12(13)3/h11-13H,4-10H2,1-3H3
InChIKeyJKFJHYYWIVNEPX-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds7

About 1-methyl-2-(7-methyloctyl)cyclopropane

1-methyl-2-(7-methyloctyl)cyclopropane (PubChem CID 123963548) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-methyl-2-(7-methyloctyl)cyclopropane.

Molecular Properties

Compound Name1-methyl-2-(7-methyloctyl)cyclopropane
PubChem CID123963548
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-methyl-2-(7-methyloctyl)cyclopropane
SMILESCC(C)CCCCCCC1CC1C
InChIInChI=1S/C13H26/c1-11(2)8-6-4-5-7-9-13-10-12(13)3/h11-13H,4-10H2,1-3H3
InChIKeyJKFJHYYWIVNEPX-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
1-methyl-2-pentadecylcyclopropane
CID 54385825
13-methyltetradecylcyclopentane
CID 123698808
1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane
CID 163893736
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
2-ethyl-1-methyl-4-(7-methyloctyl)-3-propylcyclohexane
CID 145259223
1,3-dimethyl-2-(4-methylpentyl)cyclobutane
CID 123570825
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane
CID 123529702
1-(5-ethyl-7-methyldecyl)-2-methylcyclopropane
CID 123168355
1-(4-methylpentyl)-2-propan-2-ylcyclopropane
CID 90741297

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(7-methyloctyl)cyclopropane?
The IUPAC name of 1-methyl-2-(7-methyloctyl)cyclopropane (CID 123963548) is 1-methyl-2-(7-methyloctyl)cyclopropane.
What is the SMILES notation for 1-methyl-2-(7-methyloctyl)cyclopropane?
The canonical SMILES for 1-methyl-2-(7-methyloctyl)cyclopropane is CC(C)CCCCCCC1CC1C.
What is the InChIKey of 1-methyl-2-(7-methyloctyl)cyclopropane?
The InChIKey is JKFJHYYWIVNEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-11(2)8-6-4-5-7-9-13-10-12(13)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-methyl-2-(7-methyloctyl)cyclopropane?
1-methyl-2-(7-methyloctyl)cyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(7-methyloctyl)cyclopropane is sourced from PubChem (CID 123963548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).