2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol

C12H24O2 — CID 79423024

IUPAC2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(O)CC1CC(C(C)C)CCC1O
InChIInChI=1S/C12H24O2/c1-8(2)10-4-5-12(14)11(7-10)6-9(3)13/h8-14H,4-7H2,1-3H3
InChIKeyYBGYZICVADRDCQ-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.19
Rot. Bonds3

About 2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol

2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 79423024) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID79423024
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(O)CC1CC(C(C)C)CCC1O
InChIInChI=1S/C12H24O2/c1-8(2)10-4-5-12(14)11(7-10)6-9(3)13/h8-14H,4-7H2,1-3H3
InChIKeyYBGYZICVADRDCQ-UHFFFAOYSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol (CID 79423024) is 2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol is CC(O)CC1CC(C(C)C)CCC1O.
What is the InChIKey of 2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is YBGYZICVADRDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-8(2)10-4-5-12(14)11(7-10)6-9(3)13/h8-14H,4-7H2,1-3H3.
What are the key properties of 2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol?
2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 79423024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).