5,5-dipropoxytetradec-3-ene

C20H40O2 — CID 150070309

IUPAC5,5-dipropoxytetradec-3-ene
SMILESCCC=CC(CCCCCCCCC)(OCCC)OCCC
InChIInChI=1S/C20H40O2/c1-5-9-11-12-13-14-15-17-20(16-10-6-2,21-18-7-3)22-19-8-4/h10,16H,5-9,11-15,17-19H2,1-4H3
InChIKeyDPDCKCMEDCTIAE-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.64
Rot. Bonds16

About 5,5-dipropoxytetradec-3-ene

5,5-dipropoxytetradec-3-ene (PubChem CID 150070309) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 5,5-dipropoxytetradec-3-ene.

Molecular Properties

Compound Name5,5-dipropoxytetradec-3-ene
PubChem CID150070309
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name5,5-dipropoxytetradec-3-ene
SMILESCCC=CC(CCCCCCCCC)(OCCC)OCCC
InChIInChI=1S/C20H40O2/c1-5-9-11-12-13-14-15-17-20(16-10-6-2,21-18-7-3)22-19-8-4/h10,16H,5-9,11-15,17-19H2,1-4H3
InChIKeyDPDCKCMEDCTIAE-UHFFFAOYSA-N
XLogP6.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.64
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

1-Undecene, 11,11-bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]-
CID 6437125
1-Undecene, 11,11-bis(3,7-dimethyl-2,6-octadienyl)oxy-
CID 105593
[(2Z)-cyclooct-2-en-1-yl] methyl carbonate
CID 15550934
5-Hexadecene, 16,16-diethoxy-, (5Z)-
CID 6438017
3-Tetradecene, 14,14-diethoxy-, (3E)-
CID 6450367
(z,z)-6,9-Heneicosadien-11-one ethylene ketal
CID 129866832
(Z)-1,1-Diethoxytridec-2-ene
CID 6436386
1,1-Bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]nonane
CID 105592
Nonane, 1,1-bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]-
CID 6437124
5-Tetradecene, 14,14-diethoxy-, (5Z)-
CID 6438018
7-Hexadecene, 1,1-diethoxy-, (7Z)-
CID 6450382
(7Z)-1,1-diethoxyhexadec-7-ene
CID 20841396

Frequently Asked Questions

What is the IUPAC name of 5,5-dipropoxytetradec-3-ene?
The IUPAC name of 5,5-dipropoxytetradec-3-ene (CID 150070309) is 5,5-dipropoxytetradec-3-ene.
What is the SMILES notation for 5,5-dipropoxytetradec-3-ene?
The canonical SMILES for 5,5-dipropoxytetradec-3-ene is CCC=CC(CCCCCCCCC)(OCCC)OCCC.
What is the InChIKey of 5,5-dipropoxytetradec-3-ene?
The InChIKey is DPDCKCMEDCTIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-5-9-11-12-13-14-15-17-20(16-10-6-2,21-18-7-3)22-19-8-4/h10,16H,5-9,11-15,17-19H2,1-4H3.
What are the key properties of 5,5-dipropoxytetradec-3-ene?
5,5-dipropoxytetradec-3-ene has a molecular weight of 312.54 g/mol, XLogP of 6.64, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dipropoxytetradec-3-ene is sourced from PubChem (CID 150070309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).