1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane

C18H36 — CID 123426508

IUPAC1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane
SMILESCCCCC1CC1CC(C)CCCC(CC)CC
InChIInChI=1S/C18H36/c1-5-8-12-17-14-18(17)13-15(4)10-9-11-16(6-2)7-3/h15-18H,5-14H2,1-4H3
InChIKeyKTFIXPVUYWBGMN-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.45
Rot. Bonds11

About 1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane

1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane (PubChem CID 123426508) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane.

Molecular Properties

Compound Name1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane
PubChem CID123426508
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane
SMILESCCCCC1CC1CC(C)CCCC(CC)CC
InChIInChI=1S/C18H36/c1-5-8-12-17-14-18(17)13-15(4)10-9-11-16(6-2)7-3/h15-18H,5-14H2,1-4H3
InChIKeyKTFIXPVUYWBGMN-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane
CID 142190190
1-butyl-2-(9-methyldodecyl)cyclopropane
CID 123448389
1-(2,5-diethyldecyl)-2-propylcyclopropane
CID 90691022
1-(2-methylbutyl)-2-propylcyclopropane
CID 90912055
1-butyl-2-ethylcyclopropane;2-methylbutane;propane
CID 143683372
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
3-ethyl-7-methylnonane
CID 526426
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
1-ethyl-2-(5-methylheptyl)-4-(10-methyl-2-pentylundecyl)cyclohexane
CID 58895748
7-ethyl-3-methylundecane
CID 57085432
(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
CID 90874427
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane?
The IUPAC name of 1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane (CID 123426508) is 1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane.
What is the SMILES notation for 1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane?
The canonical SMILES for 1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane is CCCCC1CC1CC(C)CCCC(CC)CC.
What is the InChIKey of 1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane?
The InChIKey is KTFIXPVUYWBGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-5-8-12-17-14-18(17)13-15(4)10-9-11-16(6-2)7-3/h15-18H,5-14H2,1-4H3.
What are the key properties of 1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane?
1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane has a molecular weight of 252.49 g/mol, XLogP of 6.45, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane is sourced from PubChem (CID 123426508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).