(1E,3E)-1-methoxydeca-1,3-dien-5-ol

C11H20O2 — CID 134995312

IUPAC(1E,3E)-1-methoxydeca-1,3-dien-5-ol
SMILESCCCCCC(O)/C=C/C=C/OC
InChIInChI=1S/C11H20O2/c1-3-4-5-8-11(12)9-6-7-10-13-2/h6-7,9-12H,3-5,8H2,1-2H3/b9-6+,10-7+
InChIKeyGMQVSDXRFHMQCP-KZZDLZNXSA-N
MW184.28 g/mol
LogP2.64
Rot. Bonds7

About (1E,3E)-1-methoxydeca-1,3-dien-5-ol

(1E,3E)-1-methoxydeca-1,3-dien-5-ol (PubChem CID 134995312) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1E,3E)-1-methoxydeca-1,3-dien-5-ol.

Molecular Properties

Compound Name(1E,3E)-1-methoxydeca-1,3-dien-5-ol
PubChem CID134995312
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1E,3E)-1-methoxydeca-1,3-dien-5-ol
SMILESCCCCCC(O)/C=C/C=C/OC
InChIInChI=1S/C11H20O2/c1-3-4-5-8-11(12)9-6-7-10-13-2/h6-7,9-12H,3-5,8H2,1-2H3/b9-6+,10-7+
InChIKeyGMQVSDXRFHMQCP-KZZDLZNXSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-methoxydeca-1,3-dien-5-ol?
The IUPAC name of (1E,3E)-1-methoxydeca-1,3-dien-5-ol (CID 134995312) is (1E,3E)-1-methoxydeca-1,3-dien-5-ol.
What is the SMILES notation for (1E,3E)-1-methoxydeca-1,3-dien-5-ol?
The canonical SMILES for (1E,3E)-1-methoxydeca-1,3-dien-5-ol is CCCCCC(O)/C=C/C=C/OC.
What is the InChIKey of (1E,3E)-1-methoxydeca-1,3-dien-5-ol?
The InChIKey is GMQVSDXRFHMQCP-KZZDLZNXSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-8-11(12)9-6-7-10-13-2/h6-7,9-12H,3-5,8H2,1-2H3/b9-6+,10-7+.
What are the key properties of (1E,3E)-1-methoxydeca-1,3-dien-5-ol?
(1E,3E)-1-methoxydeca-1,3-dien-5-ol has a molecular weight of 184.28 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-methoxydeca-1,3-dien-5-ol is sourced from PubChem (CID 134995312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).