3-propan-2-yloxycyclohexan-1-ol

C9H18O2 — CID 89244840

IUPAC3-propan-2-yloxycyclohexan-1-ol
SMILESCC(C)OC1CCCC(O)C1
InChIInChI=1S/C9H18O2/c1-7(2)11-9-5-3-4-8(10)6-9/h7-10H,3-6H2,1-2H3
InChIKeyLJSWXOBWJKXQKN-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.71
Rot. Bonds2

About 3-propan-2-yloxycyclohexan-1-ol

3-propan-2-yloxycyclohexan-1-ol (PubChem CID 89244840) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-propan-2-yloxycyclohexan-1-ol.

Molecular Properties

Compound Name3-propan-2-yloxycyclohexan-1-ol
PubChem CID89244840
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-propan-2-yloxycyclohexan-1-ol
SMILESCC(C)OC1CCCC(O)C1
InChIInChI=1S/C9H18O2/c1-7(2)11-9-5-3-4-8(10)6-9/h7-10H,3-6H2,1-2H3
InChIKeyLJSWXOBWJKXQKN-UHFFFAOYSA-N
XLogP1.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cis-3-methoxycyclohexanol
CID 249259
3-(Cyclohexyloxy)propan-1-ol
CID 10034878
3,5-Dimethoxycyclohexan-1-ol
CID 547125
Cis-1,3-dimethoxycyclohexane
CID 22213706
3-Ethoxycyclohexan-1-ol
CID 79619013
1,3-Dimethoxycyclohexane
CID 547181
(1R,3R)-1,3-diacetoxy-5-hydroxy-cyclohexane
CID 11183526
Trans-3-methoxycyclohexanol
CID 51381273
1,3-Cyclohexanediol, monoacetate, (1S,3R)-
CID 11636845
[(1R,3S)-3-hydroxycyclohexyl] acetate
CID 16081046
3-Propoxycyclohexan-1-ol
CID 67412647
2-[3-Hydroxy-5-(2-hydroxypropan-2-yloxy)cyclohexyl]oxypropan-2-yl hypofluorite
CID 143930158

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxycyclohexan-1-ol?
The IUPAC name of 3-propan-2-yloxycyclohexan-1-ol (CID 89244840) is 3-propan-2-yloxycyclohexan-1-ol.
What is the SMILES notation for 3-propan-2-yloxycyclohexan-1-ol?
The canonical SMILES for 3-propan-2-yloxycyclohexan-1-ol is CC(C)OC1CCCC(O)C1.
What is the InChIKey of 3-propan-2-yloxycyclohexan-1-ol?
The InChIKey is LJSWXOBWJKXQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(2)11-9-5-3-4-8(10)6-9/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yloxycyclohexan-1-ol?
3-propan-2-yloxycyclohexan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxycyclohexan-1-ol is sourced from PubChem (CID 89244840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).