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

C18H36O2 — CID 155675575

IUPAC2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol
SMILESCCCCCCCCC1(C)CCC(C(C)CO)C(O)C1
InChIInChI=1S/C18H36O2/c1-4-5-6-7-8-9-11-18(3)12-10-16(15(2)14-19)17(20)13-18/h15-17,19-20H,4-14H2,1-3H3
InChIKeyUDJLAJSKQXHKBH-UHFFFAOYSA-N
MW284.48 g/mol
LogP4.53
Rot. Bonds9

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

2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol (PubChem CID 155675575) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol
PubChem CID155675575
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol
SMILESCCCCCCCCC1(C)CCC(C(C)CO)C(O)C1
InChIInChI=1S/C18H36O2/c1-4-5-6-7-8-9-11-18(3)12-10-16(15(2)14-19)17(20)13-18/h15-17,19-20H,4-14H2,1-3H3
InChIKeyUDJLAJSKQXHKBH-UHFFFAOYSA-N
XLogP4.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol?
The IUPAC name of 2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol (CID 155675575) is 2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol is CCCCCCCCC1(C)CCC(C(C)CO)C(O)C1.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol?
The InChIKey is UDJLAJSKQXHKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-4-5-6-7-8-9-11-18(3)12-10-16(15(2)14-19)17(20)13-18/h15-17,19-20H,4-14H2,1-3H3.
What are the key properties of 2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol?
2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol has a molecular weight of 284.48 g/mol, XLogP of 4.53, 9 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-octylcyclohexan-1-ol is sourced from PubChem (CID 155675575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).