12,12-diethoxydodec-1-ene

C16H32O2 — CID 146004846

IUPAC12,12-diethoxydodec-1-ene
SMILESC=CCCCCCCCCCC(OCC)OCC
InChIInChI=1S/C16H32O2/c1-4-7-8-9-10-11-12-13-14-15-16(17-5-2)18-6-3/h4,16H,1,5-15H2,2-3H3
InChIKeyFIRKFKSUPMAZEI-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.08
Rot. Bonds14

About 12,12-diethoxydodec-1-ene

12,12-diethoxydodec-1-ene (PubChem CID 146004846) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 12,12-diethoxydodec-1-ene.

Molecular Properties

Compound Name12,12-diethoxydodec-1-ene
PubChem CID146004846
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name12,12-diethoxydodec-1-ene
SMILESC=CCCCCCCCCCC(OCC)OCC
InChIInChI=1S/C16H32O2/c1-4-7-8-9-10-11-12-13-14-15-16(17-5-2)18-6-3/h4,16H,1,5-15H2,2-3H3
InChIKeyFIRKFKSUPMAZEI-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.08
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

16,16-diethoxyhexadec-3-ene
CID 91492223
2,2-diethoxyethyl(hex-5-enyl)silane
CID 151959610
(E)-16,16-diethoxyhexadec-3-en-1-ol
CID 163205889
(3E,5E)-18,18-diethoxyoctadeca-3,5-diene
CID 175053580
(Z)-1,1-diethoxy-14-methylhexadec-8-ene
CID 20841393
(E,14R)-1,1-diethoxy-14-methylhexadec-8-ene
CID 6450379
1,1-bis(prop-2-enoxy)nonane
CID 123908723
2-ethoxy-N-propyldec-9-en-3-amine
CID 107009140
11-(1-ethoxyethoxy)undec-1-ene
CID 10900817
16-bromo-1,1-diethoxyhexadecane
CID 88601641
14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene
CID 163205951
11,11-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 162392533

Frequently Asked Questions

What is the IUPAC name of 12,12-diethoxydodec-1-ene?
The IUPAC name of 12,12-diethoxydodec-1-ene (CID 146004846) is 12,12-diethoxydodec-1-ene.
What is the SMILES notation for 12,12-diethoxydodec-1-ene?
The canonical SMILES for 12,12-diethoxydodec-1-ene is C=CCCCCCCCCCC(OCC)OCC.
What is the InChIKey of 12,12-diethoxydodec-1-ene?
The InChIKey is FIRKFKSUPMAZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-4-7-8-9-10-11-12-13-14-15-16(17-5-2)18-6-3/h4,16H,1,5-15H2,2-3H3.
What are the key properties of 12,12-diethoxydodec-1-ene?
12,12-diethoxydodec-1-ene has a molecular weight of 256.43 g/mol, XLogP of 5.08, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-diethoxydodec-1-ene is sourced from PubChem (CID 146004846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).