cis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol

C16H28O3 — CID 6442588

IUPACcis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1CC/C=C/COC1CCCCO1
InChIInChI=1S/C16H28O3/c17-15-10-4-3-9-14(15)8-2-1-6-12-18-16-11-5-7-13-19-16/h1,6,14-17H,2-5,7-13H2/b6-1+/t14-,15-,16?/m0/s1
InChIKeyYIOWMXPXDJRIAS-TYXCRBTGSA-N
MW268.40 g/mol
LogP3.42
Rot. Bonds6

About cis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol

cis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol (PubChem CID 6442588) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol
PubChem CID6442588
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Namecis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1CC/C=C/COC1CCCCO1
InChIInChI=1S/C16H28O3/c17-15-10-4-3-9-14(15)8-2-1-6-12-18-16-11-5-7-13-19-16/h1,6,14-17H,2-5,7-13H2/b6-1+/t14-,15-,16?/m0/s1
InChIKeyYIOWMXPXDJRIAS-TYXCRBTGSA-N
XLogP3.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol (CID 6442588) is cis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1CC/C=C/COC1CCCCO1.
What is the InChIKey of cis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol?
The InChIKey is YIOWMXPXDJRIAS-TYXCRBTGSA-N. The full InChI is InChI=1S/C16H28O3/c17-15-10-4-3-9-14(15)8-2-1-6-12-18-16-11-5-7-13-19-16/h1,6,14-17H,2-5,7-13H2/b6-1+/t14-,15-,16?/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol?
cis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol has a molecular weight of 268.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexan-1-ol is sourced from PubChem (CID 6442588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).