1,2-di(pentan-2-yl)cyclopropane

C13H26 — CID 123763474

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

About 1,2-di(pentan-2-yl)cyclopropane

1,2-di(pentan-2-yl)cyclopropane (PubChem CID 123763474) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,2-di(pentan-2-yl)cyclopropane.

Molecular Properties

Compound Name1,2-di(pentan-2-yl)cyclopropane
PubChem CID123763474
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,2-di(pentan-2-yl)cyclopropane
SMILESCCCC(C)C1CC1C(C)CCC
InChIInChI=1S/C13H26/c1-5-7-10(3)12-9-13(12)11(4)8-6-2/h10-13H,5-9H2,1-4H3
InChIKeyIOALMXMHWYXGMQ-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

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Related Compounds

1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
cis-(1R,2S)-2-[(2S)-pentan-2-yl]cyclopropane-1-carbaldehyde
CID 125425466
1-butyl-2-pentan-2-ylcyclopropane
CID 90836008
1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
1-ethyl-2-[(2-pentan-2-ylcyclopropyl)methyl]cyclopropane
CID 123666565
3-pentan-2-ylcyclobutan-1-amine
CID 130531889
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1-ethyl-2-pentan-2-ylcycloheptane
CID 123744676
1-bromo-2-pentan-2-ylcycloheptane
CID 107886723

Frequently Asked Questions

What is the IUPAC name of 1,2-di(pentan-2-yl)cyclopropane?
The IUPAC name of 1,2-di(pentan-2-yl)cyclopropane (CID 123763474) is 1,2-di(pentan-2-yl)cyclopropane.
What is the SMILES notation for 1,2-di(pentan-2-yl)cyclopropane?
The canonical SMILES for 1,2-di(pentan-2-yl)cyclopropane is CCCC(C)C1CC1C(C)CCC.
What is the InChIKey of 1,2-di(pentan-2-yl)cyclopropane?
The InChIKey is IOALMXMHWYXGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-7-10(3)12-9-13(12)11(4)8-6-2/h10-13H,5-9H2,1-4H3.
What are the key properties of 1,2-di(pentan-2-yl)cyclopropane?
1,2-di(pentan-2-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 1,2-di(pentan-2-yl)cyclopropane is sourced from PubChem (CID 123763474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).