ethene;1,1,1-tris(prop-1-en-2-yloxy)decane

C21H38O3 — CID 159873481

IUPACethene;1,1,1-tris(prop-1-en-2-yloxy)decane
SMILESC=C.C=C(C)OC(CCCCCCCCC)(OC(=C)C)OC(=C)C
InChIInChI=1S/C19H34O3.C2H4/c1-8-9-10-11-12-13-14-15-19(20-16(2)3,21-17(4)5)22-18(6)7;1-2/h2,4,6,8-15H2,1,3,5,7H3;1-2H2
InChIKeyNSPJIIRFMLUYCQ-UHFFFAOYSA-N
MW338.53 g/mol
LogP7.23
Rot. Bonds14

About ethene;1,1,1-tris(prop-1-en-2-yloxy)decane

ethene;1,1,1-tris(prop-1-en-2-yloxy)decane (PubChem CID 159873481) has the molecular formula C21H38O3 and a molecular weight of 338.53 g/mol. Its IUPAC name is ethene;1,1,1-tris(prop-1-en-2-yloxy)decane.

Molecular Properties

Compound Nameethene;1,1,1-tris(prop-1-en-2-yloxy)decane
PubChem CID159873481
Molecular FormulaC21H38O3
Molecular Weight338.53 g/mol
Exact Mass338.28
IUPAC Nameethene;1,1,1-tris(prop-1-en-2-yloxy)decane
SMILESC=C.C=C(C)OC(CCCCCCCCC)(OC(=C)C)OC(=C)C
InChIInChI=1S/C19H34O3.C2H4/c1-8-9-10-11-12-13-14-15-19(20-16(2)3,21-17(4)5)22-18(6)7;1-2/h2,4,6,8-15H2,1,3,5,7H3;1-2H2
InChIKeyNSPJIIRFMLUYCQ-UHFFFAOYSA-N
XLogP7.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.53
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethene;1,1,1-tris(prop-1-en-2-yloxy)decane 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

1,1,1-trimethoxytridecane
CID 102481821
(1-nonanoyloxy-1-octanoyloxy-12-oxo-12-undecanoylperoxydodecyl) decanoate
CID 141081907
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
ruthenium;1,1,1-triethoxydecane
CID 157324278
3-methoxy-2,3-dimethylundec-1-ene
CID 155803303
ethene;undecane
CID 161157037
11-fluorodocosan-11-yl 2-methylprop-2-enoate
CID 88638006
4-propylundecan-4-yl 2-methylprop-2-enoate
CID 164546631
[1-(2-methylprop-2-enoyloxy)-1-phosphonooxyhexyl] 2-methylprop-2-enoate
CID 88595404
9-octyloctadecan-9-yl acetate
CID 87256953
13-dodecylpentacosan-13-yl acetate
CID 57064481
CID 87683180
CID 87683180

Frequently Asked Questions

What is the IUPAC name of ethene;1,1,1-tris(prop-1-en-2-yloxy)decane?
The IUPAC name of ethene;1,1,1-tris(prop-1-en-2-yloxy)decane (CID 159873481) is ethene;1,1,1-tris(prop-1-en-2-yloxy)decane.
What is the SMILES notation for ethene;1,1,1-tris(prop-1-en-2-yloxy)decane?
The canonical SMILES for ethene;1,1,1-tris(prop-1-en-2-yloxy)decane is C=C.C=C(C)OC(CCCCCCCCC)(OC(=C)C)OC(=C)C.
What is the InChIKey of ethene;1,1,1-tris(prop-1-en-2-yloxy)decane?
The InChIKey is NSPJIIRFMLUYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3.C2H4/c1-8-9-10-11-12-13-14-15-19(20-16(2)3,21-17(4)5)22-18(6)7;1-2/h2,4,6,8-15H2,1,3,5,7H3;1-2H2.
What are the key properties of ethene;1,1,1-tris(prop-1-en-2-yloxy)decane?
ethene;1,1,1-tris(prop-1-en-2-yloxy)decane has a molecular weight of 338.53 g/mol, XLogP of 7.23, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1,1,1-tris(prop-1-en-2-yloxy)decane is sourced from PubChem (CID 159873481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).