5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene

C19H38O2 — CID 151382916

IUPAC5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene
SMILESCCC=CC(CC)(CCCCCCCC)C(C)(OC)OC
InChIInChI=1S/C19H38O2/c1-7-10-12-13-14-15-17-19(9-3,16-11-8-2)18(4,20-5)21-6/h11,16H,7-10,12-15,17H2,1-6H3
InChIKeyOSUNFTBYMLQBLR-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.11
Rot. Bonds13

About 5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene

5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene (PubChem CID 151382916) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene.

Molecular Properties

Compound Name5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene
PubChem CID151382916
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene
SMILESCCC=CC(CC)(CCCCCCCC)C(C)(OC)OC
InChIInChI=1S/C19H38O2/c1-7-10-12-13-14-15-17-19(9-3,16-11-8-2)18(4,20-5)21-6/h11,16H,7-10,12-15,17H2,1-6H3
InChIKeyOSUNFTBYMLQBLR-UHFFFAOYSA-N
XLogP6.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'}

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Related Compounds

2,2-dimethoxyundecane;1-propoxybut-1-ene
CID 158397642
(2-but-1-enyl-2-ethyl-1,1-dipropoxydecyl)benzene
CID 151485020
3-methoxy-3-methyldodecane
CID 150409844
1,1,1-trimethoxy-2,2-dimethyldecane
CID 150575533
4-(1,1-dimethoxyethyl)-4-methoxydodecane
CID 151569502
5-methyl-5-(trimethoxymethyl)tridecane
CID 150316109
4-methoxy-5-methyl-5-propyl-4-(trimethoxymethyl)dodecane
CID 150655273
3-ethyl-3-methoxydecane
CID 89190150
3,3-dimethoxynonane
CID 14785776
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene
CID 123318581
(Z)-4-ethyl-4-methyldodec-2-en-1-amine
CID 126727185
1,1,1-trimethoxytridecane
CID 102481821

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene?
The IUPAC name of 5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene (CID 151382916) is 5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene.
What is the SMILES notation for 5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene?
The canonical SMILES for 5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene is CCC=CC(CC)(CCCCCCCC)C(C)(OC)OC.
What is the InChIKey of 5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene?
The InChIKey is OSUNFTBYMLQBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-7-10-12-13-14-15-17-19(9-3,16-11-8-2)18(4,20-5)21-6/h11,16H,7-10,12-15,17H2,1-6H3.
What are the key properties of 5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene?
5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene has a molecular weight of 298.51 g/mol, XLogP of 6.11, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene is sourced from PubChem (CID 151382916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).