(E)-12,12-dimethoxydodec-3-ene

C14H28O2 — CID 155762804

IUPAC(E)-12,12-dimethoxydodec-3-ene
SMILESCC/C=C/CCCCCCCC(OC)OC
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h5-6,14H,4,7-13H2,1-3H3/b6-5+
InChIKeyPSYNDBHHXJYIBD-AATRIKPKSA-N
MW228.38 g/mol
LogP4.30
Rot. Bonds11

About (E)-12,12-dimethoxydodec-3-ene

(E)-12,12-dimethoxydodec-3-ene (PubChem CID 155762804) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (E)-12,12-dimethoxydodec-3-ene.

Molecular Properties

Compound Name(E)-12,12-dimethoxydodec-3-ene
PubChem CID155762804
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(E)-12,12-dimethoxydodec-3-ene
SMILESCC/C=C/CCCCCCCC(OC)OC
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h5-6,14H,4,7-13H2,1-3H3/b6-5+
InChIKeyPSYNDBHHXJYIBD-AATRIKPKSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.30
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-12,12-dimethoxydodec-3-ene?
The IUPAC name of (E)-12,12-dimethoxydodec-3-ene (CID 155762804) is (E)-12,12-dimethoxydodec-3-ene.
What is the SMILES notation for (E)-12,12-dimethoxydodec-3-ene?
The canonical SMILES for (E)-12,12-dimethoxydodec-3-ene is CC/C=C/CCCCCCCC(OC)OC.
What is the InChIKey of (E)-12,12-dimethoxydodec-3-ene?
The InChIKey is PSYNDBHHXJYIBD-AATRIKPKSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h5-6,14H,4,7-13H2,1-3H3/b6-5+.
What are the key properties of (E)-12,12-dimethoxydodec-3-ene?
(E)-12,12-dimethoxydodec-3-ene has a molecular weight of 228.38 g/mol, XLogP of 4.30, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12,12-dimethoxydodec-3-ene is sourced from PubChem (CID 155762804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).