5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane

C24H48O3 — CID 151813134

IUPAC5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane
SMILESCCC=COCCCC(CCCCCCCC)C(CCC)(OCC)OCC
InChIInChI=1S/C24H48O3/c1-6-11-13-14-15-16-18-23(19-17-22-25-21-12-7-2)24(20-8-3,26-9-4)27-10-5/h12,21,23H,6-11,13-20,22H2,1-5H3
InChIKeySBAPUMAEEMWTNV-UHFFFAOYSA-N
MW384.65 g/mol
LogP7.64
Rot. Bonds20

About 5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane

5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane (PubChem CID 151813134) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is 5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane.

Molecular Properties

Compound Name5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane
PubChem CID151813134
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane
SMILESCCC=COCCCC(CCCCCCCC)C(CCC)(OCC)OCC
InChIInChI=1S/C24H48O3/c1-6-11-13-14-15-16-18-23(19-17-22-25-21-12-7-2)24(20-8-3,26-9-4)27-10-5/h12,21,23H,6-11,13-20,22H2,1-5H3
InChIKeySBAPUMAEEMWTNV-UHFFFAOYSA-N
XLogP7.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
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': '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

(2R,6S,8S)-2-butyl-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecane
CID 59456473
2,2-Dimethyl-4-(5,9,13-trimethyltetradecyl)-1,3-dioxole
CID 141426026
4-[1,1-Bis(methylperoxy)ethyl]-1-but-1-enoxydodecane
CID 149638291
(6R)-6-(tributoxymethyl)tetradec-1-ene
CID 149667353
6-(Tributoxymethyl)tetradec-1-ene
CID 149667354
1-But-1-enoxy-4-(1,1-dibutoxyethyl)dodecane
CID 149669483
5-(3-But-1-enoxypropyl)-4,4-dimethoxytridecane
CID 149669778
6-(Tripropoxymethyl)tetradec-1-ene
CID 149770784
1-Prop-1-enoxy-3-(triethoxymethyl)undecane
CID 149791567
1-Prop-1-enoxy-4-[tri(propan-2-yloxy)methyl]dodecane
CID 149833553
1-But-1-enoxy-8,8-dimethoxy-4-methyltridecane
CID 149889975
1,1,1-Tris(but-1-enoxy)-2-methyldecane
CID 149894015

Frequently Asked Questions

What is the IUPAC name of 5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane?
The IUPAC name of 5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane (CID 151813134) is 5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane.
What is the SMILES notation for 5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane?
The canonical SMILES for 5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane is CCC=COCCCC(CCCCCCCC)C(CCC)(OCC)OCC.
What is the InChIKey of 5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane?
The InChIKey is SBAPUMAEEMWTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-6-11-13-14-15-16-18-23(19-17-22-25-21-12-7-2)24(20-8-3,26-9-4)27-10-5/h12,21,23H,6-11,13-20,22H2,1-5H3.
What are the key properties of 5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane?
5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane has a molecular weight of 384.65 g/mol, XLogP of 7.64, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-but-1-enoxypropyl)-4,4-diethoxytridecane is sourced from PubChem (CID 151813134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).