2,2-diethoxy-6,10,14-trimethylpentadec-5-ene

C22H44O2 — CID 150121386

IUPAC2,2-diethoxy-6,10,14-trimethylpentadec-5-ene
SMILESCCOC(C)(CCC=C(C)CCCC(C)CCCC(C)C)OCC
InChIInChI=1S/C22H44O2/c1-8-23-22(7,24-9-2)18-12-17-21(6)16-11-15-20(5)14-10-13-19(3)4/h17,19-20H,8-16,18H2,1-7H3
InChIKeyDZICMTNWNXPBNI-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.13
Rot. Bonds15

About 2,2-diethoxy-6,10,14-trimethylpentadec-5-ene

2,2-diethoxy-6,10,14-trimethylpentadec-5-ene (PubChem CID 150121386) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 2,2-diethoxy-6,10,14-trimethylpentadec-5-ene.

Molecular Properties

Compound Name2,2-diethoxy-6,10,14-trimethylpentadec-5-ene
PubChem CID150121386
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Name2,2-diethoxy-6,10,14-trimethylpentadec-5-ene
SMILESCCOC(C)(CCC=C(C)CCCC(C)CCCC(C)C)OCC
InChIInChI=1S/C22H44O2/c1-8-23-22(7,24-9-2)18-12-17-21(6)16-11-15-20(5)14-10-13-19(3)4/h17,19-20H,8-16,18H2,1-7H3
InChIKeyDZICMTNWNXPBNI-UHFFFAOYSA-N
XLogP7.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2-diethoxy-6,10,14-trimethylpentadec-5-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene
CID 162292188
(E)-2,2-dimethoxy-6,10-dimethylundec-5-ene
CID 23352870
(E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene
CID 140695976
(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol
CID 15602246
6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 140695963
(5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 90238479
(5E,9E)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 90238470
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
CID 162895181
(E)-2,2,5,9,13-pentamethyltetradec-4-ene
CID 58883085
2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene
CID 140780753
[(E)-2-hydroperoxy-6,10-dimethylundec-5-en-2-yl] nitrite
CID 163709313
2-[[2,2-bis(hydroxymethyl)-3-[(E)-5,9,13,17-tetramethyloctadec-4-enoxy]propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88939217

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-6,10,14-trimethylpentadec-5-ene?
The IUPAC name of 2,2-diethoxy-6,10,14-trimethylpentadec-5-ene (CID 150121386) is 2,2-diethoxy-6,10,14-trimethylpentadec-5-ene.
What is the SMILES notation for 2,2-diethoxy-6,10,14-trimethylpentadec-5-ene?
The canonical SMILES for 2,2-diethoxy-6,10,14-trimethylpentadec-5-ene is CCOC(C)(CCC=C(C)CCCC(C)CCCC(C)C)OCC.
What is the InChIKey of 2,2-diethoxy-6,10,14-trimethylpentadec-5-ene?
The InChIKey is DZICMTNWNXPBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-8-23-22(7,24-9-2)18-12-17-21(6)16-11-15-20(5)14-10-13-19(3)4/h17,19-20H,8-16,18H2,1-7H3.
What are the key properties of 2,2-diethoxy-6,10,14-trimethylpentadec-5-ene?
2,2-diethoxy-6,10,14-trimethylpentadec-5-ene has a molecular weight of 340.59 g/mol, XLogP of 7.13, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-6,10,14-trimethylpentadec-5-ene is sourced from PubChem (CID 150121386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).