(Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol

C19H36O3 — CID 11186054

IUPAC(Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol
SMILESCCC(O)/C=C\CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C19H36O3/c1-2-18(20)14-10-8-6-4-3-5-7-9-12-16-21-19-15-11-13-17-22-19/h10,14,18-20H,2-9,11-13,15-17H2,1H3/b14-10-
InChIKeyQSQHLKOQPSRUKU-UVTDQMKNSA-N
MW312.49 g/mol
LogP4.98
Rot. Bonds13

About (Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol

(Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol (PubChem CID 11186054) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is (Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol.

Molecular Properties

Compound Name(Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol
PubChem CID11186054
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name(Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol
SMILESCCC(O)/C=C\CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C19H36O3/c1-2-18(20)14-10-8-6-4-3-5-7-9-12-16-21-19-15-11-13-17-22-19/h10,14,18-20H,2-9,11-13,15-17H2,1H3/b14-10-
InChIKeyQSQHLKOQPSRUKU-UVTDQMKNSA-N
XLogP4.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol?
The IUPAC name of (Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol (CID 11186054) is (Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol.
What is the SMILES notation for (Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol?
The canonical SMILES for (Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol is CCC(O)/C=C\CCCCCCCCCOC1CCCCO1.
What is the InChIKey of (Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol?
The InChIKey is QSQHLKOQPSRUKU-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H36O3/c1-2-18(20)14-10-8-6-4-3-5-7-9-12-16-21-19-15-11-13-17-22-19/h10,14,18-20H,2-9,11-13,15-17H2,1H3/b14-10-.
What are the key properties of (Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol?
(Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol has a molecular weight of 312.49 g/mol, XLogP of 4.98, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-14-(oxan-2-yloxy)tetradec-4-en-3-ol is sourced from PubChem (CID 11186054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).