1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane

C13H24 — CID 123561290

IUPAC1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane
SMILESCC=C1C(C)C1CCCCC(C)C
InChIInChI=1S/C13H24/c1-5-12-11(4)13(12)9-7-6-8-10(2)3/h5,10-11,13H,6-9H2,1-4H3
InChIKeyBMYXPRXBEUMWSH-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds5

About 1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane

1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane (PubChem CID 123561290) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane.

Molecular Properties

Compound Name1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane
PubChem CID123561290
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane
SMILESCC=C1C(C)C1CCCCC(C)C
InChIInChI=1S/C13H24/c1-5-12-11(4)13(12)9-7-6-8-10(2)3/h5,10-11,13H,6-9H2,1-4H3
InChIKeyBMYXPRXBEUMWSH-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-3-(5-methylhexyl)aziridine
CID 146374939
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
(3S,4S)-4-[(2S)-2-hydroxynonyl]-3-(8-methylnonyl)oxetan-2-one
CID 87146053
13-methyltetradecylcyclopentane
CID 123698808
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(2S,3R)-3-(5-methylhexyl)oxirane-2-carboxylic acid
CID 175916097
[(2R,3S)-3-(5-methylhexyl)oxiran-2-yl]methanol
CID 14102159
1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
[(2S,3R)-3-(5-methylhexyl)oxiran-2-yl]methanol
CID 14102158

Frequently Asked Questions

What is the IUPAC name of 1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane?
The IUPAC name of 1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane (CID 123561290) is 1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane.
What is the SMILES notation for 1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane?
The canonical SMILES for 1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane is CC=C1C(C)C1CCCCC(C)C.
What is the InChIKey of 1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane?
The InChIKey is BMYXPRXBEUMWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-12-11(4)13(12)9-7-6-8-10(2)3/h5,10-11,13H,6-9H2,1-4H3.
What are the key properties of 1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane?
1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane has a molecular weight of 180.33 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane is sourced from PubChem (CID 123561290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).