(3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne

C16H26O2 — CID 11107774

IUPAC(3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne
SMILESC#C[C@H](OCC=C)[C@H](CCCCCC)OCC=C
InChIInChI=1S/C16H26O2/c1-5-9-10-11-12-16(18-14-7-3)15(8-4)17-13-6-2/h4,6-7,15-16H,2-3,5,9-14H2,1H3/t15-,16-/m0/s1
InChIKeyXJPFBZFSNVHISS-HOTGVXAUSA-N
MW250.38 g/mol
LogP3.73
Rot. Bonds12

About (3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne

(3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne (PubChem CID 11107774) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne.

Molecular Properties

Compound Name(3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne
PubChem CID11107774
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne
SMILESC#C[C@H](OCC=C)[C@H](CCCCCC)OCC=C
InChIInChI=1S/C16H26O2/c1-5-9-10-11-12-16(18-14-7-3)15(8-4)17-13-6-2/h4,6-7,15-16H,2-3,5,9-14H2,1H3/t15-,16-/m0/s1
InChIKeyXJPFBZFSNVHISS-HOTGVXAUSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-prop-2-enoxyoct-1-yne
CID 11126647
1,1-bis(prop-2-enoxy)nonane
CID 123908723
4-prop-2-enoxydecane
CID 102003307
2-prop-2-enoxyheptane
CID 142701865
3-ethoxyoct-1-yne
CID 20555693
5-ethenoxy-13-prop-2-enoxyheptadecane
CID 126747600
3-propoxynonadec-1-ene
CID 87204997
4-fluoropentadec-1-ene
CID 143980948
(9R,10R)-10-ethenyl-9-methoxynonadecane
CID 102492829
4-[(E)-hex-2-enoxy]-5-iodotridec-1-ene
CID 15438018
(E)-4-methyl-5-prop-2-enoxydec-3-ene
CID 23037223
4-prop-2-enylpentadec-1-ene
CID 54427529

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne?
The IUPAC name of (3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne (CID 11107774) is (3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne.
What is the SMILES notation for (3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne?
The canonical SMILES for (3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne is C#C[C@H](OCC=C)[C@H](CCCCCC)OCC=C.
What is the InChIKey of (3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne?
The InChIKey is XJPFBZFSNVHISS-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-9-10-11-12-16(18-14-7-3)15(8-4)17-13-6-2/h4,6-7,15-16H,2-3,5,9-14H2,1H3/t15-,16-/m0/s1.
What are the key properties of (3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne?
(3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne has a molecular weight of 250.38 g/mol, XLogP of 3.73, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-bis(prop-2-enoxy)dec-1-yne is sourced from PubChem (CID 11107774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).