2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene

C27H48O4 — CID 23571745

IUPAC2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene
SMILESC=C(C)CCCCCC(CCCCCC(=C)C)(COCOC(=C)C)COCOC(=C)C
InChIInChI=1S/C27H48O4/c1-23(2)15-11-9-13-17-27(19-28-21-30-25(5)6,20-29-22-31-26(7)8)18-14-10-12-16-24(3)4/h1,3,5,7,9-22H2,2,4,6,8H3
InChIKeyHCUSOPLVVSDVAV-UHFFFAOYSA-N
MW436.68 g/mol
LogP8.07
Rot. Bonds22

About 2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene

2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene (PubChem CID 23571745) has the molecular formula C27H48O4 and a molecular weight of 436.68 g/mol. Its IUPAC name is 2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene.

Molecular Properties

Compound Name2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene
PubChem CID23571745
Molecular FormulaC27H48O4
Molecular Weight436.68 g/mol
Exact Mass436.36
IUPAC Name2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene
SMILESC=C(C)CCCCCC(CCCCCC(=C)C)(COCOC(=C)C)COCOC(=C)C
InChIInChI=1S/C27H48O4/c1-23(2)15-11-9-13-17-27(19-28-21-30-25(5)6,20-29-22-31-26(7)8)18-14-10-12-16-24(3)4/h1,3,5,7,9-22H2,2,4,6,8H3
InChIKeyHCUSOPLVVSDVAV-UHFFFAOYSA-N
XLogP8.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene 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 2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene?
The IUPAC name of 2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene (CID 23571745) is 2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene.
What is the SMILES notation for 2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene?
The canonical SMILES for 2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene is C=C(C)CCCCCC(CCCCCC(=C)C)(COCOC(=C)C)COCOC(=C)C.
What is the InChIKey of 2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene?
The InChIKey is HCUSOPLVVSDVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O4/c1-23(2)15-11-9-13-17-27(19-28-21-30-25(5)6,20-29-22-31-26(7)8)18-14-10-12-16-24(3)4/h1,3,5,7,9-22H2,2,4,6,8H3.
What are the key properties of 2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene?
2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene has a molecular weight of 436.68 g/mol, XLogP of 8.07, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-dimethyl-8,8-bis(prop-1-en-2-yloxymethoxymethyl)pentadeca-1,14-diene is sourced from PubChem (CID 23571745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).