1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol

C13H24O2 — CID 115073811

IUPAC1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol
SMILESOC1(CCC2CCCOC2)CCCCC1
InChIInChI=1S/C13H24O2/c14-13(7-2-1-3-8-13)9-6-12-5-4-10-15-11-12/h12,14H,1-11H2
InChIKeyZNPLLHPGRPKKGJ-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.89
Rot. Bonds3

About 1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol

1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol (PubChem CID 115073811) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol
PubChem CID115073811
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol
SMILESOC1(CCC2CCCOC2)CCCCC1
InChIInChI=1S/C13H24O2/c14-13(7-2-1-3-8-13)9-6-12-5-4-10-15-11-12/h12,14H,1-11H2
InChIKeyZNPLLHPGRPKKGJ-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropylethyl)cyclohexan-1-ol
CID 106590346
1-(2-cyclohexylethyl)cyclobutan-1-ol
CID 126973785
1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65162275
1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol
CID 102672319
1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273
3-(2-chloroethyl)oxane
CID 64867917
2-[2-(oxan-3-yl)ethyl]-2-propan-2-ylpiperidine
CID 117271658
1-(oxolan-3-ylmethyl)cyclobutan-1-ol
CID 115073595
1-(2-cyclopropylethyl)cyclopropan-1-ol
CID 91129908
3-octyloxane
CID 69236112
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-ol
CID 115073699
4,4-dimethyl-1-(oxan-3-yl)pentan-3-one
CID 107137760

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol (CID 115073811) is 1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol is OC1(CCC2CCCOC2)CCCCC1.
What is the InChIKey of 1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol?
The InChIKey is ZNPLLHPGRPKKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c14-13(7-2-1-3-8-13)9-6-12-5-4-10-15-11-12/h12,14H,1-11H2.
What are the key properties of 1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol?
1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 115073811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).