1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol

C8H14O3 — CID 10419437

IUPAC1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
SMILESC=CC(O)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C8H14O3/c1-4-6(9)7-5-10-8(2,3)11-7/h4,6-7,9H,1,5H2,2-3H3/t6?,7-/m0/s1
InChIKeySGAHBTSLTNIYOK-MLWJPKLSSA-N
MW158.20 g/mol
LogP0.68
Rot. Bonds2

About 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol

1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol (PubChem CID 10419437) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
PubChem CID10419437
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
SMILESC=CC(O)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C8H14O3/c1-4-6(9)7-5-10-8(2,3)11-7/h4,6-7,9H,1,5H2,2-3H3/t6?,7-/m0/s1
InChIKeySGAHBTSLTNIYOK-MLWJPKLSSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol?
The IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol (CID 10419437) is 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol.
What is the SMILES notation for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol?
The canonical SMILES for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol is C=CC(O)[C@@H]1COC(C)(C)O1.
What is the InChIKey of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol?
The InChIKey is SGAHBTSLTNIYOK-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-6(9)7-5-10-8(2,3)11-7/h4,6-7,9H,1,5H2,2-3H3/t6?,7-/m0/s1.
What are the key properties of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol?
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol has a molecular weight of 158.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol is sourced from PubChem (CID 10419437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).