1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid

C12H24O2 — CID 175472600

IUPAC1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid
SMILESCCC1(C)CC1(C)CC(C)C.O=CO
InChIInChI=1S/C11H22.CH2O2/c1-6-10(4)8-11(10,5)7-9(2)3;2-1-3/h9H,6-8H2,1-5H3;1H,(H,2,3)
InChIKeyPEQISRVNLSAHIT-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.56
Rot. Bonds3

About 1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid

1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid (PubChem CID 175472600) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid.

Molecular Properties

Compound Name1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid
PubChem CID175472600
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid
SMILESCCC1(C)CC1(C)CC(C)C.O=CO
InChIInChI=1S/C11H22.CH2O2/c1-6-10(4)8-11(10,5)7-9(2)3;2-1-3/h9H,6-8H2,1-5H3;1H,(H,2,3)
InChIKeyPEQISRVNLSAHIT-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2-trimethyl-2-(2-methylpropyl)cyclopropane
CID 123147679
5-ethyl-4,5-dimethyl-4-(2-methylpropyl)-1,3-dioxan-2-one
CID 141234962
1-ethyl-1,2,2-trimethylcyclopropane
CID 13115325
1-bromo-1-ethylcyclobutane;formic acid
CID 175164087
1-(2,6-dimethylheptan-2-yl)-2-ethyl-1,2-dimethylcyclopropane
CID 123993522
1,2,2,3-tetramethyl-1-(2-methylpropyl)cyclobutane
CID 123680951
1,2-diethyl-2-methylcyclopropane-1-carboxylic acid
CID 21319578
CID 59102641
CID 59102641
ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane
CID 176704387
1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane
CID 177300443
1,1-dimethoxyethane;formic acid
CID 174931321
1-(2,2-dimethylpropyl)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 91065201

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid?
The IUPAC name of 1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid (CID 175472600) is 1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid.
What is the SMILES notation for 1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid?
The canonical SMILES for 1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid is CCC1(C)CC1(C)CC(C)C.O=CO.
What is the InChIKey of 1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid?
The InChIKey is PEQISRVNLSAHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.CH2O2/c1-6-10(4)8-11(10,5)7-9(2)3;2-1-3/h9H,6-8H2,1-5H3;1H,(H,2,3).
What are the key properties of 1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid?
1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid has a molecular weight of 200.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2-dimethyl-2-(2-methylpropyl)cyclopropane;formic acid is sourced from PubChem (CID 175472600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).