14,14-dipropoxytetradeca-3,5-diyne

C20H34O2 — CID 122444773

IUPAC14,14-dipropoxytetradeca-3,5-diyne
SMILESCCC#CC#CCCCCCCCC(OCCC)OCCC
InChIInChI=1S/C20H34O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-20(21-18-5-2)22-19-6-3/h20H,4-6,11-19H2,1-3H3
InChIKeyGSJKLZWMHVTIRP-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.31
Rot. Bonds13

About 14,14-dipropoxytetradeca-3,5-diyne

14,14-dipropoxytetradeca-3,5-diyne (PubChem CID 122444773) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 14,14-dipropoxytetradeca-3,5-diyne.

Molecular Properties

Compound Name14,14-dipropoxytetradeca-3,5-diyne
PubChem CID122444773
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name14,14-dipropoxytetradeca-3,5-diyne
SMILESCCC#CC#CCCCCCCCC(OCCC)OCCC
InChIInChI=1S/C20H34O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-20(21-18-5-2)22-19-6-3/h20H,4-6,11-19H2,1-3H3
InChIKeyGSJKLZWMHVTIRP-UHFFFAOYSA-N
XLogP5.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.31
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

11,11-dibutoxy-1-chloroundec-4-yne
CID 165174995
6,6-didecoxyhexanenitrile
CID 164552451
1-(15,15-dioctoxy-1-propoxypentadecoxy)-15,15-dioctoxy-1-propoxypentadecane
CID 175225222
1,1-dibutoxyoctane
CID 54557001
(5Z,7E)-16,16-dipropoxyhexadeca-5,7-diene
CID 146189754
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
1-trichlorosilylhexadeca-11,13-diyn-4-ol
CID 56999202
(E)-18,18-dipropoxyoctadec-3-en-1-ol
CID 163205632
1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
CID 175168734
1,9,9-tripropoxynon-2-ene
CID 54274162
6-methyl-1,1-dioctoxyheptane
CID 171428766
10-methylheptadec-3-yne
CID 22224077

Frequently Asked Questions

What is the IUPAC name of 14,14-dipropoxytetradeca-3,5-diyne?
The IUPAC name of 14,14-dipropoxytetradeca-3,5-diyne (CID 122444773) is 14,14-dipropoxytetradeca-3,5-diyne.
What is the SMILES notation for 14,14-dipropoxytetradeca-3,5-diyne?
The canonical SMILES for 14,14-dipropoxytetradeca-3,5-diyne is CCC#CC#CCCCCCCCC(OCCC)OCCC.
What is the InChIKey of 14,14-dipropoxytetradeca-3,5-diyne?
The InChIKey is GSJKLZWMHVTIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-20(21-18-5-2)22-19-6-3/h20H,4-6,11-19H2,1-3H3.
What are the key properties of 14,14-dipropoxytetradeca-3,5-diyne?
14,14-dipropoxytetradeca-3,5-diyne has a molecular weight of 306.49 g/mol, XLogP of 5.31, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dipropoxytetradeca-3,5-diyne is sourced from PubChem (CID 122444773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).