3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol

C14H26O2 — CID 65149276

IUPAC3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
SMILESCCC1CCCC(O)(CC2CCOCC2)C1
InChIInChI=1S/C14H26O2/c1-2-12-4-3-7-14(15,10-12)11-13-5-8-16-9-6-13/h12-13,15H,2-11H2,1H3
InChIKeyQGKMMIPSXREBPZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.13
Rot. Bonds3

About 3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol

3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol (PubChem CID 65149276) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
PubChem CID65149276
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
SMILESCCC1CCCC(O)(CC2CCOCC2)C1
InChIInChI=1S/C14H26O2/c1-2-12-4-3-7-14(15,10-12)11-13-5-8-16-9-6-13/h12-13,15H,2-11H2,1H3
InChIKeyQGKMMIPSXREBPZ-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylmethyl)-3-ethylcyclohexan-1-ol
CID 65149112
3-cyclopropyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65154108
3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65153619
1-(oxolan-3-ylmethyl)cyclobutan-1-ol
CID 115073595
3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol
CID 114852220
8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol
CID 114819637
3-amino-1-(cyclopentylmethyl)cyclohexan-1-ol
CID 80562099
4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65147484
3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol
CID 79135585
1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol
CID 65148847
4-ethyl-1-(hydroxymethyl)cycloheptan-1-ol
CID 82713966
2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 81313760

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol (CID 65149276) is 3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol is CCC1CCCC(O)(CC2CCOCC2)C1.
What is the InChIKey of 3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
The InChIKey is QGKMMIPSXREBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-12-4-3-7-14(15,10-12)11-13-5-8-16-9-6-13/h12-13,15H,2-11H2,1H3.
What are the key properties of 3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 65149276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).