[4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol

C15H24O3 — CID 19937905

IUPAC[4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol
SMILESOCC1CCC(C#CCOC2CCCCO2)CC1
InChIInChI=1S/C15H24O3/c16-12-14-8-6-13(7-9-14)4-3-11-18-15-5-1-2-10-17-15/h13-16H,1-2,5-12H2
InChIKeyMCAGKKGYBNOQES-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.33
Rot. Bonds3

About [4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol

[4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol (PubChem CID 19937905) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is [4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol
PubChem CID19937905
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name[4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol
SMILESOCC1CCC(C#CCOC2CCCCO2)CC1
InChIInChI=1S/C15H24O3/c16-12-14-8-6-13(7-9-14)4-3-11-18-15-5-1-2-10-17-15/h13-16H,1-2,5-12H2
InChIKeyMCAGKKGYBNOQES-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.33
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 [4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol?
The IUPAC name of [4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol (CID 19937905) is [4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol?
The canonical SMILES for [4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol is OCC1CCC(C#CCOC2CCCCO2)CC1.
What is the InChIKey of [4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol?
The InChIKey is MCAGKKGYBNOQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c16-12-14-8-6-13(7-9-14)4-3-11-18-15-5-1-2-10-17-15/h13-16H,1-2,5-12H2.
What are the key properties of [4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol?
[4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol has a molecular weight of 252.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(oxan-2-yloxy)prop-1-ynyl]cyclohexyl]methanol is sourced from PubChem (CID 19937905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).