1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol

C13H22O3 — CID 90928239

IUPAC1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol
SMILESCC(O)C1CC=C(OC2CCOCC2)CC1
InChIInChI=1S/C13H22O3/c1-10(14)11-2-4-12(5-3-11)16-13-6-8-15-9-7-13/h4,10-11,13-14H,2-3,5-9H2,1H3
InChIKeyKSPDLYJZABRCLQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.25
Rot. Bonds3

About 1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol

1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol (PubChem CID 90928239) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol
PubChem CID90928239
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol
SMILESCC(O)C1CC=C(OC2CCOCC2)CC1
InChIInChI=1S/C13H22O3/c1-10(14)11-2-4-12(5-3-11)16-13-6-8-15-9-7-13/h4,10-11,13-14H,2-3,5-9H2,1H3
InChIKeyKSPDLYJZABRCLQ-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol?
The IUPAC name of 1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol (CID 90928239) is 1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol.
What is the SMILES notation for 1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol?
The canonical SMILES for 1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol is CC(O)C1CC=C(OC2CCOCC2)CC1.
What is the InChIKey of 1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol?
The InChIKey is KSPDLYJZABRCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-10(14)11-2-4-12(5-3-11)16-13-6-8-15-9-7-13/h4,10-11,13-14H,2-3,5-9H2,1H3.
What are the key properties of 1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol?
1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol has a molecular weight of 226.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-4-yloxy)cyclohex-3-en-1-yl]ethanol is sourced from PubChem (CID 90928239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).