1-butyl-1-(1-ethylcyclohexyl)cyclohexane

C18H34 — CID 173123724

IUPAC1-butyl-1-(1-ethylcyclohexyl)cyclohexane
SMILESCCCCC1(C2(CC)CCCCC2)CCCCC1
InChIInChI=1S/C18H34/c1-3-5-12-18(15-10-7-11-16-18)17(4-2)13-8-6-9-14-17/h3-16H2,1-2H3
InChIKeyZMDWKTVSZFMEPZ-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.49
Rot. Bonds5

About 1-butyl-1-(1-ethylcyclohexyl)cyclohexane

1-butyl-1-(1-ethylcyclohexyl)cyclohexane (PubChem CID 173123724) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-butyl-1-(1-ethylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-butyl-1-(1-ethylcyclohexyl)cyclohexane
PubChem CID173123724
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-butyl-1-(1-ethylcyclohexyl)cyclohexane
SMILESCCCCC1(C2(CC)CCCCC2)CCCCC1
InChIInChI=1S/C18H34/c1-3-5-12-18(15-10-7-11-16-18)17(4-2)13-8-6-9-14-17/h3-16H2,1-2H3
InChIKeyZMDWKTVSZFMEPZ-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
1,1-dipentylcyclononane
CID 169026027
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
1-(chloromethyl)-1-pentylcyclohexane
CID 66036692
(1-butylcyclobutyl)methanol
CID 12786214
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
(1-hexylcyclohexyl)methanol
CID 66024993
(1-pentylcyclopentyl)methanamine
CID 62725889
(3S)-3-butyl-3-ethylcycloheptan-1-one
CID 102514499
1-butylcyclohexan-1-amine
CID 13182498

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(1-ethylcyclohexyl)cyclohexane?
The IUPAC name of 1-butyl-1-(1-ethylcyclohexyl)cyclohexane (CID 173123724) is 1-butyl-1-(1-ethylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-butyl-1-(1-ethylcyclohexyl)cyclohexane?
The canonical SMILES for 1-butyl-1-(1-ethylcyclohexyl)cyclohexane is CCCCC1(C2(CC)CCCCC2)CCCCC1.
What is the InChIKey of 1-butyl-1-(1-ethylcyclohexyl)cyclohexane?
The InChIKey is ZMDWKTVSZFMEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-3-5-12-18(15-10-7-11-16-18)17(4-2)13-8-6-9-14-17/h3-16H2,1-2H3.
What are the key properties of 1-butyl-1-(1-ethylcyclohexyl)cyclohexane?
1-butyl-1-(1-ethylcyclohexyl)cyclohexane has a molecular weight of 250.47 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(1-ethylcyclohexyl)cyclohexane is sourced from PubChem (CID 173123724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).