1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol

C14H22O3 — CID 11020958

IUPAC1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol
SMILESOC1(C#CCOC2CCCCO2)CCCCC1
InChIInChI=1S/C14H22O3/c15-14(8-3-1-4-9-14)10-6-12-17-13-7-2-5-11-16-13/h13,15H,1-5,7-9,11-12H2
InChIKeyRNIFUJAOBIORAW-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.23
Rot. Bonds2

About 1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol

1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol (PubChem CID 11020958) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol
PubChem CID11020958
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol
SMILESOC1(C#CCOC2CCCCO2)CCCCC1
InChIInChI=1S/C14H22O3/c15-14(8-3-1-4-9-14)10-6-12-17-13-7-2-5-11-16-13/h13,15H,1-5,7-9,11-12H2
InChIKeyRNIFUJAOBIORAW-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol?
The IUPAC name of 1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol (CID 11020958) is 1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol is OC1(C#CCOC2CCCCO2)CCCCC1.
What is the InChIKey of 1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol?
The InChIKey is RNIFUJAOBIORAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c15-14(8-3-1-4-9-14)10-6-12-17-13-7-2-5-11-16-13/h13,15H,1-5,7-9,11-12H2.
What are the key properties of 1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol?
1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexan-1-ol is sourced from PubChem (CID 11020958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).