1,6-bis(prop-1-enoxy)decane

C16H30O2 — CID 87891837

IUPAC1,6-bis(prop-1-enoxy)decane
SMILESCC=COCCCCCC(CCCC)OC=CC
InChIInChI=1S/C16H30O2/c1-4-7-11-16(18-14-6-3)12-9-8-10-15-17-13-5-2/h5-6,13-14,16H,4,7-12,15H2,1-3H3
InChIKeyHBRGAVHRDDHINB-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.21
Rot. Bonds12

About 1,6-bis(prop-1-enoxy)decane

1,6-bis(prop-1-enoxy)decane (PubChem CID 87891837) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 1,6-bis(prop-1-enoxy)decane.

Molecular Properties

Compound Name1,6-bis(prop-1-enoxy)decane
PubChem CID87891837
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name1,6-bis(prop-1-enoxy)decane
SMILESCC=COCCCCCC(CCCC)OC=CC
InChIInChI=1S/C16H30O2/c1-4-7-11-16(18-14-6-3)12-9-8-10-15-17-13-5-2/h5-6,13-14,16H,4,7-12,15H2,1-3H3
InChIKeyHBRGAVHRDDHINB-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,6-bis(prop-1-enoxy)decane 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 1,6-bis(prop-1-enoxy)decane?
The IUPAC name of 1,6-bis(prop-1-enoxy)decane (CID 87891837) is 1,6-bis(prop-1-enoxy)decane.
What is the SMILES notation for 1,6-bis(prop-1-enoxy)decane?
The canonical SMILES for 1,6-bis(prop-1-enoxy)decane is CC=COCCCCCC(CCCC)OC=CC.
What is the InChIKey of 1,6-bis(prop-1-enoxy)decane?
The InChIKey is HBRGAVHRDDHINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-7-11-16(18-14-6-3)12-9-8-10-15-17-13-5-2/h5-6,13-14,16H,4,7-12,15H2,1-3H3.
What are the key properties of 1,6-bis(prop-1-enoxy)decane?
1,6-bis(prop-1-enoxy)decane has a molecular weight of 254.41 g/mol, XLogP of 5.21, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(prop-1-enoxy)decane is sourced from PubChem (CID 87891837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).