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

C8H14O3 — CID 11819301

IUPAC(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
SMILESCC1(C)OC[C@H](/C=C\CO)O1
InChIInChI=1S/C8H14O3/c1-8(2)10-6-7(11-8)4-3-5-9/h3-4,7,9H,5-6H2,1-2H3/b4-3-/t7-/m0/s1
InChIKeyOZYZQEWPEYGVRU-AVALRIAPSA-N
MW158.20 g/mol
LogP0.69
Rot. Bonds2

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

(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol (PubChem CID 11819301) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
PubChem CID11819301
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
SMILESCC1(C)OC[C@H](/C=C\CO)O1
InChIInChI=1S/C8H14O3/c1-8(2)10-6-7(11-8)4-3-5-9/h3-4,7,9H,5-6H2,1-2H3/b4-3-/t7-/m0/s1
InChIKeyOZYZQEWPEYGVRU-AVALRIAPSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol?
The IUPAC name of (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol (CID 11819301) is (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol?
The canonical SMILES for (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol is CC1(C)OC[C@H](/C=C\CO)O1.
What is the InChIKey of (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol?
The InChIKey is OZYZQEWPEYGVRU-AVALRIAPSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2)10-6-7(11-8)4-3-5-9/h3-4,7,9H,5-6H2,1-2H3/b4-3-/t7-/m0/s1.
What are the key properties of (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol?
(Z)-3-[(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 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol is sourced from PubChem (CID 11819301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).