[(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol

C7H12O3 — CID 162409992

IUPAC[(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol
SMILESC=C[C@]1(CO)COCCO1
InChIInChI=1S/C7H12O3/c1-2-7(5-8)6-9-3-4-10-7/h2,8H,1,3-6H2/t7-/m0/s1
InChIKeyKRVMGYDWLUKMFC-ZETCQYMHSA-N
MW144.17 g/mol
LogP-0.05
Rot. Bonds2

About [(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol

[(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol (PubChem CID 162409992) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is [(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol
PubChem CID162409992
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name[(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol
SMILESC=C[C@]1(CO)COCCO1
InChIInChI=1S/C7H12O3/c1-2-7(5-8)6-9-3-4-10-7/h2,8H,1,3-6H2/t7-/m0/s1
InChIKeyKRVMGYDWLUKMFC-ZETCQYMHSA-N
XLogP-0.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 10942539
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2-(3-Ethenyloxetan-3-yl)oxyethanol
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2-Methoxy-2-methylbut-3-EN-1-OL
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2-(2-Methoxy-2-methylbut-3-enoxy)-2-methylbut-3-en-1-ol
CID 20697415
2-Methyl-2-prop-2-enoxybut-3-en-1-ol
CID 20697426
((2R,5S)-5-vinyl-1,4-dioxan-2-yl)methanol
CID 86675914
2-(2-Methylbut-3-en-2-yloxy)ethanol
CID 87195767
2-Ethenyl-2-[3-(hydroxymethyl)penta-1,4-dien-3-yloxy]but-3-en-1-ol
CID 87835530
(S)-2-(allyloxy)-2-methylbut-3-en-1-ol
CID 117799234
(2-Ethenyloxiran-2-yl)methanol
CID 130144913
[(2R)-2-ethenyloxiran-2-yl]methanol
CID 140423810

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol?
The IUPAC name of [(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol (CID 162409992) is [(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol.
What is the SMILES notation for [(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol?
The canonical SMILES for [(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol is C=C[C@]1(CO)COCCO1.
What is the InChIKey of [(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol?
The InChIKey is KRVMGYDWLUKMFC-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-7(5-8)6-9-3-4-10-7/h2,8H,1,3-6H2/t7-/m0/s1.
What are the key properties of [(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol?
[(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol has a molecular weight of 144.17 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-ethenyl-1,4-dioxan-2-yl]methanol is sourced from PubChem (CID 162409992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).