5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

C14H28O2 — CID 155675581

IUPAC5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
SMILESCCCCC1(C)CCC(C(C)CO)C(O)C1
InChIInChI=1S/C14H28O2/c1-4-5-7-14(3)8-6-12(11(2)10-15)13(16)9-14/h11-13,15-16H,4-10H2,1-3H3
InChIKeyZHTBTJVWNOKGNM-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.97
Rot. Bonds5

About 5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol (PubChem CID 155675581) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
PubChem CID155675581
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
SMILESCCCCC1(C)CCC(C(C)CO)C(O)C1
InChIInChI=1S/C14H28O2/c1-4-5-7-14(3)8-6-12(11(2)10-15)13(16)9-14/h11-13,15-16H,4-10H2,1-3H3
InChIKeyZHTBTJVWNOKGNM-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol?
The IUPAC name of 5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol (CID 155675581) is 5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol.
What is the SMILES notation for 5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol?
The canonical SMILES for 5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol is CCCCC1(C)CCC(C(C)CO)C(O)C1.
What is the InChIKey of 5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol?
The InChIKey is ZHTBTJVWNOKGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-7-14(3)8-6-12(11(2)10-15)13(16)9-14/h11-13,15-16H,4-10H2,1-3H3.
What are the key properties of 5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol?
5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol is sourced from PubChem (CID 155675581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).