1-methyl-2-(3-methylnonan-4-yl)cyclopropane

C14H28 — CID 91046160

IUPAC1-methyl-2-(3-methylnonan-4-yl)cyclopropane
SMILESCCCCCC(C(C)CC)C1CC1C
InChIInChI=1S/C14H28/c1-5-7-8-9-13(11(3)6-2)14-10-12(14)4/h11-14H,5-10H2,1-4H3
InChIKeyGSACSKTZWCVLCT-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds7

About 1-methyl-2-(3-methylnonan-4-yl)cyclopropane

1-methyl-2-(3-methylnonan-4-yl)cyclopropane (PubChem CID 91046160) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-methyl-2-(3-methylnonan-4-yl)cyclopropane.

Molecular Properties

Compound Name1-methyl-2-(3-methylnonan-4-yl)cyclopropane
PubChem CID91046160
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-methyl-2-(3-methylnonan-4-yl)cyclopropane
SMILESCCCCCC(C(C)CC)C1CC1C
InChIInChI=1S/C14H28/c1-5-7-8-9-13(11(3)6-2)14-10-12(14)4/h11-14H,5-10H2,1-4H3
InChIKeyGSACSKTZWCVLCT-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
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-(2-methyloctan-3-yl)cyclopropane
CID 123773820
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1-(6-ethenylundecan-5-yl)-2-methylcyclopropane
CID 123814770
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-methyl-2-(6-methyl-4-propylheptan-3-yl)cyclopropane
CID 123883056
1-(2-methylcyclopropyl)-N-propylundecan-1-amine
CID 65419339
3,4-dimethyldecane;ethane
CID 170980289
1-(4-butan-2-ylnonan-2-yl)-2-methylcycloheptane
CID 123447024
1-methyl-3-(3-methylheptan-4-yl)cyclopentane
CID 143344172
3,4,5-trimethyltridecane
CID 21201053

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylnonan-4-yl)cyclopropane?
The IUPAC name of 1-methyl-2-(3-methylnonan-4-yl)cyclopropane (CID 91046160) is 1-methyl-2-(3-methylnonan-4-yl)cyclopropane.
What is the SMILES notation for 1-methyl-2-(3-methylnonan-4-yl)cyclopropane?
The canonical SMILES for 1-methyl-2-(3-methylnonan-4-yl)cyclopropane is CCCCCC(C(C)CC)C1CC1C.
What is the InChIKey of 1-methyl-2-(3-methylnonan-4-yl)cyclopropane?
The InChIKey is GSACSKTZWCVLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-7-8-9-13(11(3)6-2)14-10-12(14)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-methyl-2-(3-methylnonan-4-yl)cyclopropane?
1-methyl-2-(3-methylnonan-4-yl)cyclopropane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylnonan-4-yl)cyclopropane is sourced from PubChem (CID 91046160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).