3-methoxydeca-1,2-dien-4-ol

C11H20O2 — CID 11332874

IUPAC3-methoxydeca-1,2-dien-4-ol
SMILESC=C=C(OC)C(O)CCCCCC
InChIInChI=1S/C11H20O2/c1-4-6-7-8-9-10(12)11(5-2)13-3/h10,12H,2,4,6-9H2,1,3H3
InChIKeyBJROLQOFIISUHC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.63
Rot. Bonds7

About 3-methoxydeca-1,2-dien-4-ol

3-methoxydeca-1,2-dien-4-ol (PubChem CID 11332874) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methoxydeca-1,2-dien-4-ol.

Molecular Properties

Compound Name3-methoxydeca-1,2-dien-4-ol
PubChem CID11332874
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-methoxydeca-1,2-dien-4-ol
SMILESC=C=C(OC)C(O)CCCCCC
InChIInChI=1S/C11H20O2/c1-4-6-7-8-9-10(12)11(5-2)13-3/h10,12H,2,4,6-9H2,1,3H3
InChIKeyBJROLQOFIISUHC-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxydeca-1,2-dien-4-ol?
The IUPAC name of 3-methoxydeca-1,2-dien-4-ol (CID 11332874) is 3-methoxydeca-1,2-dien-4-ol.
What is the SMILES notation for 3-methoxydeca-1,2-dien-4-ol?
The canonical SMILES for 3-methoxydeca-1,2-dien-4-ol is C=C=C(OC)C(O)CCCCCC.
What is the InChIKey of 3-methoxydeca-1,2-dien-4-ol?
The InChIKey is BJROLQOFIISUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-7-8-9-10(12)11(5-2)13-3/h10,12H,2,4,6-9H2,1,3H3.
What are the key properties of 3-methoxydeca-1,2-dien-4-ol?
3-methoxydeca-1,2-dien-4-ol has a molecular weight of 184.28 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxydeca-1,2-dien-4-ol is sourced from PubChem (CID 11332874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).