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

C8H14O3 — CID 11008188

IUPAC(E)-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-SDLBARTOSA-N
MW158.20 g/mol
LogP0.69
Rot. Bonds2

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

(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol (PubChem CID 11008188) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
PubChem CID11008188
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(E)-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-SDLBARTOSA-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'}

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

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Related Compounds

(3aS,4R,6aR)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta[d][1,3]dioxol-4-ol
CID 10953760
1,6-anhydro-3,4-dideoxy-beta-D-threo-hex-3-enopyranose
CID 11804774
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895
(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
CID 44238498
2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane
CID 135079611
5-Hydroxy-2-methoxy-5,6-dihydro-2h-pyran
CID 11400783
6,8-Dioxabicyclo[3.2.1]oct-2-en-4-ol
CID 14585265
1,6-anhydro-3,4-dideoxy-beta-D-erythro-hex-3-enopyranose
CID 14585268
4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 59875112
4-[(Z)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 59875115
4-(2-Fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
CID 72584865
(E)-2-methyl-2-(prop-1-en-1-yl)-1,3-dioxolane
CID 10855469

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol (CID 11008188) is (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-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 (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol?
The InChIKey is OZYZQEWPEYGVRU-SDLBARTOSA-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 (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol?
(E)-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 (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol is sourced from PubChem (CID 11008188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).