1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane

C21H40 — CID 153382511

IUPAC1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
SMILESCCC(C)C1CCC(C(C)C2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C21H40/c1-6-16(4)19-9-13-21(14-10-19)17(5)20-11-7-18(8-12-20)15(2)3/h15-21H,6-14H2,1-5H3
InChIKeyPANTZMHBWWPZBT-UHFFFAOYSA-N
MW292.55 g/mol
LogP6.94
Rot. Bonds5

About 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane

1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane (PubChem CID 153382511) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
PubChem CID153382511
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
SMILESCCC(C)C1CCC(C(C)C2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C21H40/c1-6-16(4)19-9-13-21(14-10-19)17(5)20-11-7-18(8-12-20)15(2)3/h15-21H,6-14H2,1-5H3
InChIKeyPANTZMHBWWPZBT-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-4-methylcyclohexane
CID 20676481
butan-2-ylcyclohexadecane
CID 123713671
butan-2-ylcyclopentane;ethane
CID 143236269
butan-2-ylcyclohexane;ethane
CID 143005290
1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 23528463
2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
CID 79423802
butan-2-ylcyclohexane;ethane;propane
CID 143477078
butan-2-ylcyclohexane;1,1-difluoro-4-propan-2-ylcyclohexane
CID 177138438
(3-butan-2-ylcyclopentyl)-trimethylsilane
CID 176746721
1-butan-2-yl-3-propylcyclopentane
CID 123336585
1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane
CID 162271463
4-butan-2-yl-1-hydroxypiperidine
CID 59870205

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane (CID 153382511) is 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane is CCC(C)C1CCC(C(C)C2CCC(C(C)C)CC2)CC1.
What is the InChIKey of 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane?
The InChIKey is PANTZMHBWWPZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-6-16(4)19-9-13-21(14-10-19)17(5)20-11-7-18(8-12-20)15(2)3/h15-21H,6-14H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane?
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane has a molecular weight of 292.55 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 153382511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).