1-butan-2-yl-4-propan-2-yloxycyclohexane

C13H26O — CID 23528463

IUPAC1-butan-2-yl-4-propan-2-yloxycyclohexane
SMILESCCC(C)C1CCC(OC(C)C)CC1
InChIInChI=1S/C13H26O/c1-5-11(4)12-6-8-13(9-7-12)14-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyQEXIWZWIACLDDD-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.02
Rot. Bonds4

About 1-butan-2-yl-4-propan-2-yloxycyclohexane

1-butan-2-yl-4-propan-2-yloxycyclohexane (PubChem CID 23528463) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-butan-2-yl-4-propan-2-yloxycyclohexane.

Molecular Properties

Compound Name1-butan-2-yl-4-propan-2-yloxycyclohexane
PubChem CID23528463
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-butan-2-yl-4-propan-2-yloxycyclohexane
SMILESCCC(C)C1CCC(OC(C)C)CC1
InChIInChI=1S/C13H26O/c1-5-11(4)12-6-8-13(9-7-12)14-10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyQEXIWZWIACLDDD-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 54535850
1-propan-2-yl-4-propan-2-yloxycyclohexane
CID 18386923
1-butan-2-yloxy-4-pentan-2-ylcyclohexane
CID 123764512
1-butan-2-yl-4-methylcyclohexane
CID 20676481
1-(4-propan-2-yloxycyclohexyl)ethylphosphane
CID 71124191
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
butan-2-ylcyclohexadecane
CID 123713671
butan-2-ylcyclopentane;ethane
CID 143236269
2-cyclopropyloxypentan-3-yloxycyclopropane
CID 175423112
butan-2-ylcyclohexane;ethane
CID 143005290
propan-2-yloxycycloundecane
CID 91254526
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-propan-2-yloxycyclohexane?
The IUPAC name of 1-butan-2-yl-4-propan-2-yloxycyclohexane (CID 23528463) is 1-butan-2-yl-4-propan-2-yloxycyclohexane.
What is the SMILES notation for 1-butan-2-yl-4-propan-2-yloxycyclohexane?
The canonical SMILES for 1-butan-2-yl-4-propan-2-yloxycyclohexane is CCC(C)C1CCC(OC(C)C)CC1.
What is the InChIKey of 1-butan-2-yl-4-propan-2-yloxycyclohexane?
The InChIKey is QEXIWZWIACLDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-11(4)12-6-8-13(9-7-12)14-10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-propan-2-yloxycyclohexane?
1-butan-2-yl-4-propan-2-yloxycyclohexane has a molecular weight of 198.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-propan-2-yloxycyclohexane is sourced from PubChem (CID 23528463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).