1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane

C18H36 — CID 123634684

IUPAC1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane
SMILESCCC1C(CCCC(C)C)C1C(C)(CC)C(C)C
InChIInChI=1S/C18H36/c1-8-15-16(12-10-11-13(3)4)17(15)18(7,9-2)14(5)6/h13-17H,8-12H2,1-7H3
InChIKeyCIBWGQIZGSMBLL-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.16
Rot. Bonds8

About 1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane

1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane (PubChem CID 123634684) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane.

Molecular Properties

Compound Name1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane
PubChem CID123634684
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane
SMILESCCC1C(CCCC(C)C)C1C(C)(CC)C(C)C
InChIInChI=1S/C18H36/c1-8-15-16(12-10-11-13(3)4)17(15)18(7,9-2)14(5)6/h13-17H,8-12H2,1-7H3
InChIKeyCIBWGQIZGSMBLL-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-2-(4-methylpentyl)cyclobutane
CID 123570825
1-ethyl-5-[[(2S,4R)-4-ethyl-2,3-dimethyl-5-(4-methylpentyl)cyclohexyl]methyl]-2,3,4-trimethylcyclohexane
CID 58111745
3,3-dimethylpentane;2-methylhexane
CID 158289309
1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
8-ethyl-2,7,8-trimethyldecane
CID 90813779
4-methylpentylcyclopentane
CID 523530
3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 102672207
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
2,2-dimethylpropane;ethane;2-methylheptane
CID 143493212
1-ethyl-2-(4-methylpentyl)azetidine
CID 166774488
1-(3-methylpentyl)-2-(4-methylpentyl)cyclopropane
CID 91283171
1-(4-methylpentyl)-2-propan-2-ylcyclopropane
CID 90741297

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane?
The IUPAC name of 1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane (CID 123634684) is 1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane.
What is the SMILES notation for 1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane?
The canonical SMILES for 1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane is CCC1C(CCCC(C)C)C1C(C)(CC)C(C)C.
What is the InChIKey of 1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane?
The InChIKey is CIBWGQIZGSMBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-8-15-16(12-10-11-13(3)4)17(15)18(7,9-2)14(5)6/h13-17H,8-12H2,1-7H3.
What are the key properties of 1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane?
1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane has a molecular weight of 252.49 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpentan-3-yl)-2-ethyl-3-(4-methylpentyl)cyclopropane is sourced from PubChem (CID 123634684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).