3,3-diethoxy-2,2,4-trimethyldodecane

C19H40O2 — CID 152690060

IUPAC3,3-diethoxy-2,2,4-trimethyldodecane
SMILESCCCCCCCCC(C)C(OCC)(OCC)C(C)(C)C
InChIInChI=1S/C19H40O2/c1-8-11-12-13-14-15-16-17(4)19(20-9-2,21-10-3)18(5,6)7/h17H,8-16H2,1-7H3
InChIKeyZPJKSLPVMCDDNG-UHFFFAOYSA-N
MW300.53 g/mol
LogP6.19
Rot. Bonds12

About 3,3-diethoxy-2,2,4-trimethyldodecane

3,3-diethoxy-2,2,4-trimethyldodecane (PubChem CID 152690060) has the molecular formula C19H40O2 and a molecular weight of 300.53 g/mol. Its IUPAC name is 3,3-diethoxy-2,2,4-trimethyldodecane.

Molecular Properties

Compound Name3,3-diethoxy-2,2,4-trimethyldodecane
PubChem CID152690060
Molecular FormulaC19H40O2
Molecular Weight300.53 g/mol
Exact Mass300.30
IUPAC Name3,3-diethoxy-2,2,4-trimethyldodecane
SMILESCCCCCCCCC(C)C(OCC)(OCC)C(C)(C)C
InChIInChI=1S/C19H40O2/c1-8-11-12-13-14-15-16-17(4)19(20-9-2,21-10-3)18(5,6)7/h17H,8-16H2,1-7H3
InChIKeyZPJKSLPVMCDDNG-UHFFFAOYSA-N
XLogP6.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 56.19
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-2,2,4-trimethyldodecane?
The IUPAC name of 3,3-diethoxy-2,2,4-trimethyldodecane (CID 152690060) is 3,3-diethoxy-2,2,4-trimethyldodecane.
What is the SMILES notation for 3,3-diethoxy-2,2,4-trimethyldodecane?
The canonical SMILES for 3,3-diethoxy-2,2,4-trimethyldodecane is CCCCCCCCC(C)C(OCC)(OCC)C(C)(C)C.
What is the InChIKey of 3,3-diethoxy-2,2,4-trimethyldodecane?
The InChIKey is ZPJKSLPVMCDDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2/c1-8-11-12-13-14-15-16-17(4)19(20-9-2,21-10-3)18(5,6)7/h17H,8-16H2,1-7H3.
What are the key properties of 3,3-diethoxy-2,2,4-trimethyldodecane?
3,3-diethoxy-2,2,4-trimethyldodecane has a molecular weight of 300.53 g/mol, XLogP of 6.19, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-2,2,4-trimethyldodecane is sourced from PubChem (CID 152690060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).