6-[tri(propan-2-yloxy)methyl]tetradec-1-ene

C24H48O3 — CID 150122998

IUPAC6-[tri(propan-2-yloxy)methyl]tetradec-1-ene
SMILESC=CCCCC(CCCCCCCC)C(OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C24H48O3/c1-9-11-13-14-15-17-19-23(18-16-12-10-2)24(25-20(3)4,26-21(5)6)27-22(7)8/h10,20-23H,2,9,11-19H2,1,3-8H3
InChIKeyDZQIDJXASHAFTA-UHFFFAOYSA-N
MW384.65 g/mol
LogP7.64
Rot. Bonds18

About 6-[tri(propan-2-yloxy)methyl]tetradec-1-ene

6-[tri(propan-2-yloxy)methyl]tetradec-1-ene (PubChem CID 150122998) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is 6-[tri(propan-2-yloxy)methyl]tetradec-1-ene.

Molecular Properties

Compound Name6-[tri(propan-2-yloxy)methyl]tetradec-1-ene
PubChem CID150122998
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name6-[tri(propan-2-yloxy)methyl]tetradec-1-ene
SMILESC=CCCCC(CCCCCCCC)C(OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C24H48O3/c1-9-11-13-14-15-17-19-23(18-16-12-10-2)24(25-20(3)4,26-21(5)6)27-22(7)8/h10,20-23H,2,9,11-19H2,1,3-8H3
InChIKeyDZQIDJXASHAFTA-UHFFFAOYSA-N
XLogP7.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 6-[tri(propan-2-yloxy)methyl]tetradec-1-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[tri(propan-2-yloxy)methyl]tetradec-1-ene?
The IUPAC name of 6-[tri(propan-2-yloxy)methyl]tetradec-1-ene (CID 150122998) is 6-[tri(propan-2-yloxy)methyl]tetradec-1-ene.
What is the SMILES notation for 6-[tri(propan-2-yloxy)methyl]tetradec-1-ene?
The canonical SMILES for 6-[tri(propan-2-yloxy)methyl]tetradec-1-ene is C=CCCCC(CCCCCCCC)C(OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 6-[tri(propan-2-yloxy)methyl]tetradec-1-ene?
The InChIKey is DZQIDJXASHAFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-9-11-13-14-15-17-19-23(18-16-12-10-2)24(25-20(3)4,26-21(5)6)27-22(7)8/h10,20-23H,2,9,11-19H2,1,3-8H3.
What are the key properties of 6-[tri(propan-2-yloxy)methyl]tetradec-1-ene?
6-[tri(propan-2-yloxy)methyl]tetradec-1-ene has a molecular weight of 384.65 g/mol, XLogP of 7.64, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tri(propan-2-yloxy)methyl]tetradec-1-ene is sourced from PubChem (CID 150122998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).