1-methyl-2-(2-methyloctan-3-yl)cyclopropane

C13H26 — CID 123773820

IUPAC1-methyl-2-(2-methyloctan-3-yl)cyclopropane
SMILESCCCCCC(C(C)C)C1CC1C
InChIInChI=1S/C13H26/c1-5-6-7-8-12(10(2)3)13-9-11(13)4/h10-13H,5-9H2,1-4H3
InChIKeyWTNHPWGYHZTZHD-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds6

About 1-methyl-2-(2-methyloctan-3-yl)cyclopropane

1-methyl-2-(2-methyloctan-3-yl)cyclopropane (PubChem CID 123773820) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-methyl-2-(2-methyloctan-3-yl)cyclopropane.

Molecular Properties

Compound Name1-methyl-2-(2-methyloctan-3-yl)cyclopropane
PubChem CID123773820
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-methyl-2-(2-methyloctan-3-yl)cyclopropane
SMILESCCCCCC(C(C)C)C1CC1C
InChIInChI=1S/C13H26/c1-5-6-7-8-12(10(2)3)13-9-11(13)4/h10-13H,5-9H2,1-4H3
InChIKeyWTNHPWGYHZTZHD-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
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-methyl-2-(3-methylnonan-4-yl)cyclopropane
CID 91046160
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1-(6-ethenylundecan-5-yl)-2-methylcyclopropane
CID 123814770
2-methyloctan-3-ylcycloheptane
CID 123273196
3-methyl-2-(2-methylcyclopropyl)butan-1-amine
CID 123264765
1,1-dimethyl-2-(2-methylnonan-3-yl)cyclopropane
CID 123682782
N-methyl-1-(2-methylcyclopropyl)undecan-1-amine
CID 65419745
1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
1-(2-methylcyclopropyl)octylhydrazine
CID 105234832
1-(2-methylcyclopropyl)-N-propylundecan-1-amine
CID 65419339
1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane
CID 91069892
1-methyl-2-(6-methyl-4-propylheptan-3-yl)cyclopropane
CID 123883056

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methyloctan-3-yl)cyclopropane?
The IUPAC name of 1-methyl-2-(2-methyloctan-3-yl)cyclopropane (CID 123773820) is 1-methyl-2-(2-methyloctan-3-yl)cyclopropane.
What is the SMILES notation for 1-methyl-2-(2-methyloctan-3-yl)cyclopropane?
The canonical SMILES for 1-methyl-2-(2-methyloctan-3-yl)cyclopropane is CCCCCC(C(C)C)C1CC1C.
What is the InChIKey of 1-methyl-2-(2-methyloctan-3-yl)cyclopropane?
The InChIKey is WTNHPWGYHZTZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-6-7-8-12(10(2)3)13-9-11(13)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-methyl-2-(2-methyloctan-3-yl)cyclopropane?
1-methyl-2-(2-methyloctan-3-yl)cyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methyloctan-3-yl)cyclopropane is sourced from PubChem (CID 123773820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).