12,12-dimethoxydodeca-3,5-diene

C14H26O2 — CID 168861657

IUPAC12,12-dimethoxydodeca-3,5-diene
SMILESCCC=CC=CCCCCCC(OC)OC
InChIInChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h5-8,14H,4,9-13H2,1-3H3
InChIKeyXWNGDZLQYDHMNK-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.08
Rot. Bonds10

About 12,12-dimethoxydodeca-3,5-diene

12,12-dimethoxydodeca-3,5-diene (PubChem CID 168861657) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 12,12-dimethoxydodeca-3,5-diene.

Molecular Properties

Compound Name12,12-dimethoxydodeca-3,5-diene
PubChem CID168861657
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name12,12-dimethoxydodeca-3,5-diene
SMILESCCC=CC=CCCCCCC(OC)OC
InChIInChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h5-8,14H,4,9-13H2,1-3H3
InChIKeyXWNGDZLQYDHMNK-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.08
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

15,15-dimethoxypentadeca-3,5-diene
CID 168861653
(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 12,12-dimethoxydodeca-3,5-diene?
The IUPAC name of 12,12-dimethoxydodeca-3,5-diene (CID 168861657) is 12,12-dimethoxydodeca-3,5-diene.
What is the SMILES notation for 12,12-dimethoxydodeca-3,5-diene?
The canonical SMILES for 12,12-dimethoxydodeca-3,5-diene is CCC=CC=CCCCCCC(OC)OC.
What is the InChIKey of 12,12-dimethoxydodeca-3,5-diene?
The InChIKey is XWNGDZLQYDHMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h5-8,14H,4,9-13H2,1-3H3.
What are the key properties of 12,12-dimethoxydodeca-3,5-diene?
12,12-dimethoxydodeca-3,5-diene has a molecular weight of 226.36 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethoxydodeca-3,5-diene is sourced from PubChem (CID 168861657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).