1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane

C18H36 — CID 123453301

IUPAC1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane
SMILESCCCCC(CC1CC1CC)C(C)CC(C)CC
InChIInChI=1S/C18H36/c1-6-9-10-17(13-18-12-16(18)8-3)15(5)11-14(4)7-2/h14-18H,6-13H2,1-5H3
InChIKeyBOLKRTXTRNUQLU-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.30
Rot. Bonds10

About 1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane

1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane (PubChem CID 123453301) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane.

Molecular Properties

Compound Name1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane
PubChem CID123453301
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane
SMILESCCCCC(CC1CC1CC)C(C)CC(C)CC
InChIInChI=1S/C18H36/c1-6-9-10-17(13-18-12-16(18)8-3)15(5)11-14(4)7-2/h14-18H,6-13H2,1-5H3
InChIKeyBOLKRTXTRNUQLU-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,3-dimethylheptyl)-2-ethylcyclopropane
CID 123157589
3,5,6-trimethyldecane
CID 57490917
1-(3,6-dimethyldecan-5-yl)-2-propan-2-ylcyclopropane
CID 90869417
5-ethyl-3,6,8-trimethyldecane
CID 173141656
2-butan-2-ylhexylcyclopropane
CID 123731337
5-butan-2-yl-3-methyldecane
CID 123136840
cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 173447814
trans-(1R,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 168764244
4,5-diethylnonane
CID 21188862
1-butyl-2-ethylcyclopropane;2-methylbutane;propane
CID 143683372
1-(3-ethyl-2-methyltetradecyl)-2-methyl-3-propylcyclobutane
CID 123714162
1-(2-methylbutyl)-2-propylcyclopropane
CID 90912055

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane?
The IUPAC name of 1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane (CID 123453301) is 1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane.
What is the SMILES notation for 1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane?
The canonical SMILES for 1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane is CCCCC(CC1CC1CC)C(C)CC(C)CC.
What is the InChIKey of 1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane?
The InChIKey is BOLKRTXTRNUQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-6-9-10-17(13-18-12-16(18)8-3)15(5)11-14(4)7-2/h14-18H,6-13H2,1-5H3.
What are the key properties of 1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane?
1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane has a molecular weight of 252.49 g/mol, XLogP of 6.30, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane is sourced from PubChem (CID 123453301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).