[(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol

C8H14O3 — CID 131086038

IUPAC[(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol
SMILESC=C(C)[C@]1(C)OC[C@H](CO)O1
InChIInChI=1S/C8H14O3/c1-6(2)8(3)10-5-7(4-9)11-8/h7,9H,1,4-5H2,2-3H3/t7-,8+/m0/s1
InChIKeyCWTAZTHAPCBVAI-JGVFFNPUSA-N
MW158.20 g/mol
LogP0.69
Rot. Bonds2

About [(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol

[(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol (PubChem CID 131086038) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol
PubChem CID131086038
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol
SMILESC=C(C)[C@]1(C)OC[C@H](CO)O1
InChIInChI=1S/C8H14O3/c1-6(2)8(3)10-5-7(4-9)11-8/h7,9H,1,4-5H2,2-3H3/t7-,8+/m0/s1
InChIKeyCWTAZTHAPCBVAI-JGVFFNPUSA-N
XLogP0.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.69
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

(4R,5S)-(2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-YL)methan-1-OL
CID 11051924
[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 11240632
[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 21579478
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 130676507
(4-Ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 10374690
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 13916621
(4-Ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol
CID 11701054
(5-Ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 13550240
(2-Ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 69423091
(2,2-Dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol
CID 121296933
[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol
CID 121451571
1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol
CID 129199119

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol (CID 131086038) is [(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol is C=C(C)[C@]1(C)OC[C@H](CO)O1.
What is the InChIKey of [(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol?
The InChIKey is CWTAZTHAPCBVAI-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14O3/c1-6(2)8(3)10-5-7(4-9)11-8/h7,9H,1,4-5H2,2-3H3/t7-,8+/m0/s1.
What are the key properties of [(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol?
[(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol has a molecular weight of 158.20 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 131086038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).