1-(3-cyclohexylbutoxy)propan-2-ol

C13H26O2 — CID 67633450

IUPAC1-(3-cyclohexylbutoxy)propan-2-ol
SMILESCC(O)COCCC(C)C1CCCCC1
InChIInChI=1S/C13H26O2/c1-11(8-9-15-10-12(2)14)13-6-4-3-5-7-13/h11-14H,3-10H2,1-2H3
InChIKeyGJTHVPDEYZFNDK-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.99
Rot. Bonds6

About 1-(3-cyclohexylbutoxy)propan-2-ol

1-(3-cyclohexylbutoxy)propan-2-ol (PubChem CID 67633450) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(3-cyclohexylbutoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-cyclohexylbutoxy)propan-2-ol
PubChem CID67633450
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-(3-cyclohexylbutoxy)propan-2-ol
SMILESCC(O)COCCC(C)C1CCCCC1
InChIInChI=1S/C13H26O2/c1-11(8-9-15-10-12(2)14)13-6-4-3-5-7-13/h11-14H,3-10H2,1-2H3
InChIKeyGJTHVPDEYZFNDK-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclohexylamino)ethoxy]propan-2-ol
CID 118106912
3-(2-hydroxypropoxy)propane-1,1-diol
CID 88599165
(2S)-1-(2-cyclobutylethoxy)propan-2-ol
CID 106204019
1-methoxypropan-2-ylcyclopentane
CID 88998786
(2S)-1-(2-cyclopropylethoxy)propan-2-ol
CID 106203926
7-cyclohexyloctan-4-ol
CID 66612590
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
2-cyclopentyl-4-(2-methylpropoxy)butanoic acid
CID 106454943
7-methyloctan-2-ylcyclohexane
CID 54518526
1-cyclododecyloxypropan-2-ol
CID 54403914

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylbutoxy)propan-2-ol?
The IUPAC name of 1-(3-cyclohexylbutoxy)propan-2-ol (CID 67633450) is 1-(3-cyclohexylbutoxy)propan-2-ol.
What is the SMILES notation for 1-(3-cyclohexylbutoxy)propan-2-ol?
The canonical SMILES for 1-(3-cyclohexylbutoxy)propan-2-ol is CC(O)COCCC(C)C1CCCCC1.
What is the InChIKey of 1-(3-cyclohexylbutoxy)propan-2-ol?
The InChIKey is GJTHVPDEYZFNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-11(8-9-15-10-12(2)14)13-6-4-3-5-7-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(3-cyclohexylbutoxy)propan-2-ol?
1-(3-cyclohexylbutoxy)propan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylbutoxy)propan-2-ol is sourced from PubChem (CID 67633450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).