(4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane

C8H12O2 — CID 58067899

IUPAC(4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane
SMILESC#CCC[C@H]1COC(C)O1
InChIInChI=1S/C8H12O2/c1-3-4-5-8-6-9-7(2)10-8/h1,7-8H,4-6H2,2H3/t7?,8-/m0/s1
InChIKeyGUCAPWOFLGVCJT-MQWKRIRWSA-N
MW140.18 g/mol
LogP1.16
Rot. Bonds2

About (4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane

(4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane (PubChem CID 58067899) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane
PubChem CID58067899
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane
SMILESC#CCC[C@H]1COC(C)O1
InChIInChI=1S/C8H12O2/c1-3-4-5-8-6-9-7(2)10-8/h1,7-8H,4-6H2,2H3/t7?,8-/m0/s1
InChIKeyGUCAPWOFLGVCJT-MQWKRIRWSA-N
XLogP1.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane?
The IUPAC name of (4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane (CID 58067899) is (4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane is C#CCC[C@H]1COC(C)O1.
What is the InChIKey of (4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane?
The InChIKey is GUCAPWOFLGVCJT-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-4-5-8-6-9-7(2)10-8/h1,7-8H,4-6H2,2H3/t7?,8-/m0/s1.
What are the key properties of (4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane?
(4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane has a molecular weight of 140.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-but-3-ynyl-2-methyl-1,3-dioxolane is sourced from PubChem (CID 58067899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).