2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol

C13H26O3 — CID 79424257

IUPAC2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CC(O)COC(C)C)C1
InChIInChI=1S/C13H26O3/c1-9(2)16-8-12(14)7-11-6-10(3)4-5-13(11)15/h9-15H,4-8H2,1-3H3
InChIKeyFSAPIQGTCWEIES-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.96
Rot. Bonds5

About 2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol

2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol (PubChem CID 79424257) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol
PubChem CID79424257
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CC(O)COC(C)C)C1
InChIInChI=1S/C13H26O3/c1-9(2)16-8-12(14)7-11-6-10(3)4-5-13(11)15/h9-15H,4-8H2,1-3H3
InChIKeyFSAPIQGTCWEIES-UHFFFAOYSA-N
XLogP1.96
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol?
The IUPAC name of 2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol (CID 79424257) is 2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol is CC1CCC(O)C(CC(O)COC(C)C)C1.
What is the InChIKey of 2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol?
The InChIKey is FSAPIQGTCWEIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-9(2)16-8-12(14)7-11-6-10(3)4-5-13(11)15/h9-15H,4-8H2,1-3H3.
What are the key properties of 2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol?
2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 79424257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).