1,1,1-triethoxy-3-prop-1-enoxydecane

C19H38O4 — CID 150810677

IUPAC1,1,1-triethoxy-3-prop-1-enoxydecane
SMILESCC=COC(CCCCCCC)CC(OCC)(OCC)OCC
InChIInChI=1S/C19H38O4/c1-6-11-12-13-14-15-18(20-16-7-2)17-19(21-8-3,22-9-4)23-10-5/h7,16,18H,6,8-15,17H2,1-5H3
InChIKeyKHUZDDCSEKAKHT-UHFFFAOYSA-N
MW330.51 g/mol
LogP5.42
Rot. Bonds16

About 1,1,1-triethoxy-3-prop-1-enoxydecane

1,1,1-triethoxy-3-prop-1-enoxydecane (PubChem CID 150810677) has the molecular formula C19H38O4 and a molecular weight of 330.51 g/mol. Its IUPAC name is 1,1,1-triethoxy-3-prop-1-enoxydecane.

Molecular Properties

Compound Name1,1,1-triethoxy-3-prop-1-enoxydecane
PubChem CID150810677
Molecular FormulaC19H38O4
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Name1,1,1-triethoxy-3-prop-1-enoxydecane
SMILESCC=COC(CCCCCCC)CC(OCC)(OCC)OCC
InChIInChI=1S/C19H38O4/c1-6-11-12-13-14-15-18(20-16-7-2)17-19(21-8-3,22-9-4)23-10-5/h7,16,18H,6,8-15,17H2,1-5H3
InChIKeyKHUZDDCSEKAKHT-UHFFFAOYSA-N
XLogP5.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 55.42
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'}

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Related Compounds

3-ethenoxy-1,1,1-trimethoxytridecane
CID 152669941
3-(2,2,2-triethoxyethyl)decan-1-amine
CID 150559594
ruthenium;1,1,1-triethoxydecane
CID 157324278
9-ethoxyoctadecane
CID 87148376
CID 87645522
CID 87645522
4-[ethoxy(dimethoxy)methyl]dodec-2-ene
CID 158734367
octadecan-8-yl formate
CID 171797323
hexatriacontan-18-yl formate
CID 144696165
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
1-prop-1-enoxypentan-1-ol
CID 87692033
4-(2,2,2-triethoxy-1-methoxyethyl)undec-2-ene
CID 150907200

Frequently Asked Questions

What is the IUPAC name of 1,1,1-triethoxy-3-prop-1-enoxydecane?
The IUPAC name of 1,1,1-triethoxy-3-prop-1-enoxydecane (CID 150810677) is 1,1,1-triethoxy-3-prop-1-enoxydecane.
What is the SMILES notation for 1,1,1-triethoxy-3-prop-1-enoxydecane?
The canonical SMILES for 1,1,1-triethoxy-3-prop-1-enoxydecane is CC=COC(CCCCCCC)CC(OCC)(OCC)OCC.
What is the InChIKey of 1,1,1-triethoxy-3-prop-1-enoxydecane?
The InChIKey is KHUZDDCSEKAKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4/c1-6-11-12-13-14-15-18(20-16-7-2)17-19(21-8-3,22-9-4)23-10-5/h7,16,18H,6,8-15,17H2,1-5H3.
What are the key properties of 1,1,1-triethoxy-3-prop-1-enoxydecane?
1,1,1-triethoxy-3-prop-1-enoxydecane has a molecular weight of 330.51 g/mol, XLogP of 5.42, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-triethoxy-3-prop-1-enoxydecane is sourced from PubChem (CID 150810677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).