1-cyclohexyl-3-(oxan-2-yl)propan-1-ol

C14H26O2 — CID 115802147

IUPAC1-cyclohexyl-3-(oxan-2-yl)propan-1-ol
SMILESOC(CCC1CCCCO1)C1CCCCC1
InChIInChI=1S/C14H26O2/c15-14(12-6-2-1-3-7-12)10-9-13-8-4-5-11-16-13/h12-15H,1-11H2
InChIKeyXLLUBVPBAXPWLR-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.28
Rot. Bonds4

About 1-cyclohexyl-3-(oxan-2-yl)propan-1-ol

1-cyclohexyl-3-(oxan-2-yl)propan-1-ol (PubChem CID 115802147) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(oxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-(oxan-2-yl)propan-1-ol
PubChem CID115802147
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-cyclohexyl-3-(oxan-2-yl)propan-1-ol
SMILESOC(CCC1CCCCO1)C1CCCCC1
InChIInChI=1S/C14H26O2/c15-14(12-6-2-1-3-7-12)10-9-13-8-4-5-11-16-13/h12-15H,1-11H2
InChIKeyXLLUBVPBAXPWLR-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65167122
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
3-(oxolan-2-yl)-1-piperidin-3-ylpropan-1-ol
CID 80559198
1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
CID 115789825
3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol
CID 105105032
1-cyclobutyl-3-(oxan-2-yl)propan-1-amine
CID 105049432
1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115336434
3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 115838835
[1-cycloheptyl-3-(oxolan-2-yl)propyl]hydrazine
CID 105231964
4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105104877
2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine
CID 112569622
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(oxan-2-yl)propan-1-ol?
The IUPAC name of 1-cyclohexyl-3-(oxan-2-yl)propan-1-ol (CID 115802147) is 1-cyclohexyl-3-(oxan-2-yl)propan-1-ol.
What is the SMILES notation for 1-cyclohexyl-3-(oxan-2-yl)propan-1-ol?
The canonical SMILES for 1-cyclohexyl-3-(oxan-2-yl)propan-1-ol is OC(CCC1CCCCO1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(oxan-2-yl)propan-1-ol?
The InChIKey is XLLUBVPBAXPWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c15-14(12-6-2-1-3-7-12)10-9-13-8-4-5-11-16-13/h12-15H,1-11H2.
What are the key properties of 1-cyclohexyl-3-(oxan-2-yl)propan-1-ol?
1-cyclohexyl-3-(oxan-2-yl)propan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(oxan-2-yl)propan-1-ol is sourced from PubChem (CID 115802147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).