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

C16H30O2 — CID 132527817

IUPAC3-methoxypentadeca-1,2-dien-4-ol
SMILESC=C=C(OC)C(O)CCCCCCCCCCC
InChIInChI=1S/C16H30O2/c1-4-6-7-8-9-10-11-12-13-14-15(17)16(5-2)18-3/h15,17H,2,4,6-14H2,1,3H3
InChIKeyWSMUITJFMPPUJD-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.58
Rot. Bonds12

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

3-methoxypentadeca-1,2-dien-4-ol (PubChem CID 132527817) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 3-methoxypentadeca-1,2-dien-4-ol.

Molecular Properties

Compound Name3-methoxypentadeca-1,2-dien-4-ol
PubChem CID132527817
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name3-methoxypentadeca-1,2-dien-4-ol
SMILESC=C=C(OC)C(O)CCCCCCCCCCC
InChIInChI=1S/C16H30O2/c1-4-6-7-8-9-10-11-12-13-14-15(17)16(5-2)18-3/h15,17H,2,4,6-14H2,1,3H3
InChIKeyWSMUITJFMPPUJD-UHFFFAOYSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.58
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-methoxypentadeca-1,2-dien-4-ol?
The IUPAC name of 3-methoxypentadeca-1,2-dien-4-ol (CID 132527817) is 3-methoxypentadeca-1,2-dien-4-ol.
What is the SMILES notation for 3-methoxypentadeca-1,2-dien-4-ol?
The canonical SMILES for 3-methoxypentadeca-1,2-dien-4-ol is C=C=C(OC)C(O)CCCCCCCCCCC.
What is the InChIKey of 3-methoxypentadeca-1,2-dien-4-ol?
The InChIKey is WSMUITJFMPPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-6-7-8-9-10-11-12-13-14-15(17)16(5-2)18-3/h15,17H,2,4,6-14H2,1,3H3.
What are the key properties of 3-methoxypentadeca-1,2-dien-4-ol?
3-methoxypentadeca-1,2-dien-4-ol has a molecular weight of 254.41 g/mol, XLogP of 4.58, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypentadeca-1,2-dien-4-ol is sourced from PubChem (CID 132527817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).