4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane

C23H46O2 — CID 54535850

IUPAC4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane
SMILESCCC(C)C1CCC(O)CC1.CCC(C)C1CCC(OC(C)C)CC1
InChIInChI=1S/C13H26O.C10H20O/c1-5-11(4)12-6-8-13(9-7-12)14-10(2)3;1-3-8(2)9-4-6-10(11)7-5-9/h10-13H,5-9H2,1-4H3;8-11H,3-7H2,1-2H3
InChIKeyYZSKSJYPPIROQO-UHFFFAOYSA-N
MW354.62 g/mol
LogP6.60
Rot. Bonds6

About 4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane

4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane (PubChem CID 54535850) has the molecular formula C23H46O2 and a molecular weight of 354.62 g/mol. Its IUPAC name is 4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane.

Molecular Properties

Compound Name4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane
PubChem CID54535850
Molecular FormulaC23H46O2
Molecular Weight354.62 g/mol
Exact Mass354.35
IUPAC Name4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane
SMILESCCC(C)C1CCC(O)CC1.CCC(C)C1CCC(OC(C)C)CC1
InChIInChI=1S/C13H26O.C10H20O/c1-5-11(4)12-6-8-13(9-7-12)14-10(2)3;1-3-8(2)9-4-6-10(11)7-5-9/h10-13H,5-9H2,1-4H3;8-11H,3-7H2,1-2H3
InChIKeyYZSKSJYPPIROQO-UHFFFAOYSA-N
XLogP6.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 23528463
1-propan-2-yl-4-propan-2-yloxycyclohexane
CID 18386923
1-butan-2-yloxy-4-pentan-2-ylcyclohexane
CID 123764512
cyclohexane-1,4-diol;2-methylbutane
CID 145319923
2-cyclopropyloxypentan-3-yloxycyclopropane
CID 175423112
4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol
CID 54408422
4-[3-[4-(4-propan-2-yloxycyclohexyl)oxycyclohexyl]oxyhexoxy]cyclohexan-1-ol
CID 137435875
1-butan-2-yl-4-methylcyclohexane
CID 20676481
1-(4-propan-2-yloxycyclohexyl)ethylphosphane
CID 71124191
4-propan-2-ylcyclohexan-1-ol
CID 159817143
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
butan-2-ylcyclohexadecane
CID 123713671

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane?
The IUPAC name of 4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane (CID 54535850) is 4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane.
What is the SMILES notation for 4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane?
The canonical SMILES for 4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane is CCC(C)C1CCC(O)CC1.CCC(C)C1CCC(OC(C)C)CC1.
What is the InChIKey of 4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane?
The InChIKey is YZSKSJYPPIROQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O.C10H20O/c1-5-11(4)12-6-8-13(9-7-12)14-10(2)3;1-3-8(2)9-4-6-10(11)7-5-9/h10-13H,5-9H2,1-4H3;8-11H,3-7H2,1-2H3.
What are the key properties of 4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane?
4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane has a molecular weight of 354.62 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane is sourced from PubChem (CID 54535850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).