1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol

C10H20O2 — CID 66909310

IUPAC1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol
SMILESCC(O)CC1(CO)CCCCC1
InChIInChI=1S/C10H20O2/c1-9(12)7-10(8-11)5-3-2-4-6-10/h9,11-12H,2-8H2,1H3
InChIKeyDXXKIYHPUGAUOM-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.70
Rot. Bonds3

About 1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol

1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol (PubChem CID 66909310) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol
PubChem CID66909310
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol
SMILESCC(O)CC1(CO)CCCCC1
InChIInChI=1S/C10H20O2/c1-9(12)7-10(8-11)5-3-2-4-6-10/h9,11-12H,2-8H2,1H3
InChIKeyDXXKIYHPUGAUOM-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol?
The IUPAC name of 1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol (CID 66909310) is 1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol is CC(O)CC1(CO)CCCCC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol?
The InChIKey is DXXKIYHPUGAUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(12)7-10(8-11)5-3-2-4-6-10/h9,11-12H,2-8H2,1H3.
What are the key properties of 1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol?
1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 66909310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).