12,12-dimethoxydodec-1-ene

C14H28O2 — CID 135085656

IUPAC12,12-dimethoxydodec-1-ene
SMILESC=CCCCCCCCCCC(OC)OC
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h4,14H,1,5-13H2,2-3H3
InChIKeyWHEBLKPWEGMNQK-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.30
Rot. Bonds12

About 12,12-dimethoxydodec-1-ene

12,12-dimethoxydodec-1-ene (PubChem CID 135085656) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 12,12-dimethoxydodec-1-ene.

Molecular Properties

Compound Name12,12-dimethoxydodec-1-ene
PubChem CID135085656
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name12,12-dimethoxydodec-1-ene
SMILESC=CCCCCCCCCCC(OC)OC
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h4,14H,1,5-13H2,2-3H3
InChIKeyWHEBLKPWEGMNQK-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
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 12,12-dimethoxydodec-1-ene?
The IUPAC name of 12,12-dimethoxydodec-1-ene (CID 135085656) is 12,12-dimethoxydodec-1-ene.
What is the SMILES notation for 12,12-dimethoxydodec-1-ene?
The canonical SMILES for 12,12-dimethoxydodec-1-ene is C=CCCCCCCCCCC(OC)OC.
What is the InChIKey of 12,12-dimethoxydodec-1-ene?
The InChIKey is WHEBLKPWEGMNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h4,14H,1,5-13H2,2-3H3.
What are the key properties of 12,12-dimethoxydodec-1-ene?
12,12-dimethoxydodec-1-ene has a molecular weight of 228.38 g/mol, XLogP of 4.30, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethoxydodec-1-ene is sourced from PubChem (CID 135085656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).