15,15-dimethoxypentadeca-3,5-diene

C17H32O2 — CID 168861653

IUPAC15,15-dimethoxypentadeca-3,5-diene
SMILESCCC=CC=CCCCCCCCCC(OC)OC
InChIInChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18-2)19-3/h5-8,17H,4,9-16H2,1-3H3
InChIKeyMSZPZEFQTJLWCN-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.25
Rot. Bonds13

About 15,15-dimethoxypentadeca-3,5-diene

15,15-dimethoxypentadeca-3,5-diene (PubChem CID 168861653) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 15,15-dimethoxypentadeca-3,5-diene.

Molecular Properties

Compound Name15,15-dimethoxypentadeca-3,5-diene
PubChem CID168861653
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name15,15-dimethoxypentadeca-3,5-diene
SMILESCCC=CC=CCCCCCCCCC(OC)OC
InChIInChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18-2)19-3/h5-8,17H,4,9-16H2,1-3H3
InChIKeyMSZPZEFQTJLWCN-UHFFFAOYSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

12,12-dimethoxydodeca-3,5-diene
CID 168861657
(3E,5E)-18,18-diethoxyoctadeca-3,5-diene
CID 175053580
(3E)-13,13-dimethoxytrideca-1,3-diene
CID 13111838
(3E)-17,17-dimethoxyheptadeca-1,3-diene
CID 163205429
(3Z)-10,10-dimethoxydeca-1,3-diene
CID 163205940
(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015
1-chloro-11,11-dimethoxyundec-4-ene
CID 165174939
(Z)-1-chloro-9,9-dimethoxynon-3-ene
CID 163205549
(E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene
CID 6450378
(3E,5Z,9Z)-16,16-dioctoxyhexadeca-3,5,9-triene
CID 165377062
(E)-17,17-dimethoxyheptadec-3-en-1-ol
CID 163205461
(E)-1-iodo-15,15-dimethoxypentadec-3-ene
CID 163205538

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethoxypentadeca-3,5-diene?
The IUPAC name of 15,15-dimethoxypentadeca-3,5-diene (CID 168861653) is 15,15-dimethoxypentadeca-3,5-diene.
What is the SMILES notation for 15,15-dimethoxypentadeca-3,5-diene?
The canonical SMILES for 15,15-dimethoxypentadeca-3,5-diene is CCC=CC=CCCCCCCCCC(OC)OC.
What is the InChIKey of 15,15-dimethoxypentadeca-3,5-diene?
The InChIKey is MSZPZEFQTJLWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18-2)19-3/h5-8,17H,4,9-16H2,1-3H3.
What are the key properties of 15,15-dimethoxypentadeca-3,5-diene?
15,15-dimethoxypentadeca-3,5-diene has a molecular weight of 268.44 g/mol, XLogP of 5.25, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethoxypentadeca-3,5-diene is sourced from PubChem (CID 168861653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).