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

C8H14O3 — CID 162408582

IUPAC[(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol
SMILESC=CC[C@]1(CO)COCCO1
InChIInChI=1S/C8H14O3/c1-2-3-8(6-9)7-10-4-5-11-8/h2,9H,1,3-7H2/t8-/m0/s1
InChIKeyOWULNOGIQBPWGG-QMMMGPOBSA-N
MW158.20 g/mol
LogP0.34
Rot. Bonds3

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

[(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol (PubChem CID 162408582) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol
PubChem CID162408582
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol
SMILESC=CC[C@]1(CO)COCCO1
InChIInChI=1S/C8H14O3/c1-2-3-8(6-9)7-10-4-5-11-8/h2,9H,1,3-7H2/t8-/m0/s1
InChIKeyOWULNOGIQBPWGG-QMMMGPOBSA-N
XLogP0.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.34
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

2-Allylpropane-1,2,3-triol
CID 16126086
Diallyl diethylene glycol
CID 22034395
Allyl glycidol
CID 129703128
[(2S)-2-prop-2-enyloxiran-2-yl]methanol
CID 131063625
2-(3-Prop-2-enyloxetan-3-yl)oxyethanol
CID 162406552
[(2S)-2-methyl-5,5-bis(prop-2-enyl)-1,4-dioxan-2-yl]methanol
CID 162408373
2-Methoxy-2-prop-2-enylpropane-1,3-diol
CID 14605474
(5-Prop-2-enyl-1,4-dioxan-2-yl)methanol
CID 67648613
1-[2-(2-Hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol
CID 87244320
2-(1-Hydroxy-2-methylpent-4-en-2-yl)oxy-2-methylpent-4-en-1-ol
CID 87872077
(2-Prop-2-enyloxiran-2-yl)methanol
CID 88604703
[2-(butoxymethyl)-3H-furan-2-yl]methanol
CID 141483960

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol?
The IUPAC name of [(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol (CID 162408582) is [(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol.
What is the SMILES notation for [(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol?
The canonical SMILES for [(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol is C=CC[C@]1(CO)COCCO1.
What is the InChIKey of [(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol?
The InChIKey is OWULNOGIQBPWGG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-8(6-9)7-10-4-5-11-8/h2,9H,1,3-7H2/t8-/m0/s1.
What are the key properties of [(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol?
[(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol has a molecular weight of 158.20 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol is sourced from PubChem (CID 162408582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).