[3-(propan-2-yloxymethyl)cyclohexyl]methanol

C11H22O2 — CID 18710491

IUPAC[3-(propan-2-yloxymethyl)cyclohexyl]methanol
SMILESCC(C)OCC1CCCC(CO)C1
InChIInChI=1S/C11H22O2/c1-9(2)13-8-11-5-3-4-10(6-11)7-12/h9-12H,3-8H2,1-2H3
InChIKeyBBWHMTXFOJMWQI-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.21
Rot. Bonds4

About [3-(propan-2-yloxymethyl)cyclohexyl]methanol

[3-(propan-2-yloxymethyl)cyclohexyl]methanol (PubChem CID 18710491) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is [3-(propan-2-yloxymethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(propan-2-yloxymethyl)cyclohexyl]methanol
PubChem CID18710491
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name[3-(propan-2-yloxymethyl)cyclohexyl]methanol
SMILESCC(C)OCC1CCCC(CO)C1
InChIInChI=1S/C11H22O2/c1-9(2)13-8-11-5-3-4-10(6-11)7-12/h9-12H,3-8H2,1-2H3
InChIKeyBBWHMTXFOJMWQI-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(propan-2-yloxymethyl)cyclohexyl]methanol?
The IUPAC name of [3-(propan-2-yloxymethyl)cyclohexyl]methanol (CID 18710491) is [3-(propan-2-yloxymethyl)cyclohexyl]methanol.
What is the SMILES notation for [3-(propan-2-yloxymethyl)cyclohexyl]methanol?
The canonical SMILES for [3-(propan-2-yloxymethyl)cyclohexyl]methanol is CC(C)OCC1CCCC(CO)C1.
What is the InChIKey of [3-(propan-2-yloxymethyl)cyclohexyl]methanol?
The InChIKey is BBWHMTXFOJMWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2)13-8-11-5-3-4-10(6-11)7-12/h9-12H,3-8H2,1-2H3.
What are the key properties of [3-(propan-2-yloxymethyl)cyclohexyl]methanol?
[3-(propan-2-yloxymethyl)cyclohexyl]methanol has a molecular weight of 186.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propan-2-yloxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 18710491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).