10-hydroxydodec-11-enyl acetate

C14H26O3 — CID 101182250

IUPAC10-hydroxydodec-11-enyl acetate
SMILESC=CC(O)CCCCCCCCCOC(C)=O
InChIInChI=1S/C14H26O3/c1-3-14(16)11-9-7-5-4-6-8-10-12-17-13(2)15/h3,14,16H,1,4-12H2,2H3
InChIKeyVCQXVQPREBPIEZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.22
Rot. Bonds11

About 10-hydroxydodec-11-enyl acetate

10-hydroxydodec-11-enyl acetate (PubChem CID 101182250) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 10-hydroxydodec-11-enyl acetate.

Molecular Properties

Compound Name10-hydroxydodec-11-enyl acetate
PubChem CID101182250
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name10-hydroxydodec-11-enyl acetate
SMILESC=CC(O)CCCCCCCCCOC(C)=O
InChIInChI=1S/C14H26O3/c1-3-14(16)11-9-7-5-4-6-8-10-12-17-13(2)15/h3,14,16H,1,4-12H2,2H3
InChIKeyVCQXVQPREBPIEZ-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.22
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 10-hydroxydodec-11-enyl acetate?
The IUPAC name of 10-hydroxydodec-11-enyl acetate (CID 101182250) is 10-hydroxydodec-11-enyl acetate.
What is the SMILES notation for 10-hydroxydodec-11-enyl acetate?
The canonical SMILES for 10-hydroxydodec-11-enyl acetate is C=CC(O)CCCCCCCCCOC(C)=O.
What is the InChIKey of 10-hydroxydodec-11-enyl acetate?
The InChIKey is VCQXVQPREBPIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-14(16)11-9-7-5-4-6-8-10-12-17-13(2)15/h3,14,16H,1,4-12H2,2H3.
What are the key properties of 10-hydroxydodec-11-enyl acetate?
10-hydroxydodec-11-enyl acetate has a molecular weight of 242.36 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxydodec-11-enyl acetate is sourced from PubChem (CID 101182250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).