2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol

C13H26O2 — CID 155675582

IUPAC2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol
SMILESCCCC1(C)CCC(C(C)CO)C(O)C1
InChIInChI=1S/C13H26O2/c1-4-6-13(3)7-5-11(10(2)9-14)12(15)8-13/h10-12,14-15H,4-9H2,1-3H3
InChIKeyNIDVOCAFUXBFHW-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.58
Rot. Bonds4

About 2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol

2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol (PubChem CID 155675582) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol
PubChem CID155675582
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol
SMILESCCCC1(C)CCC(C(C)CO)C(O)C1
InChIInChI=1S/C13H26O2/c1-4-6-13(3)7-5-11(10(2)9-14)12(15)8-13/h10-12,14-15H,4-9H2,1-3H3
InChIKeyNIDVOCAFUXBFHW-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol?
The IUPAC name of 2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol (CID 155675582) is 2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol is CCCC1(C)CCC(C(C)CO)C(O)C1.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol?
The InChIKey is NIDVOCAFUXBFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-6-13(3)7-5-11(10(2)9-14)12(15)8-13/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of 2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol?
2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol is sourced from PubChem (CID 155675582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).