(E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol

C9H16O3 — CID 134995178

IUPAC(E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol
SMILESCC1(C)COC(/C=C/CCO)O1
InChIInChI=1S/C9H16O3/c1-9(2)7-11-8(12-9)5-3-4-6-10/h3,5,8,10H,4,6-7H2,1-2H3/b5-3+
InChIKeyVELKNWABSJWMQS-HWKANZROSA-N
MW172.22 g/mol
LogP1.08
Rot. Bonds3

About (E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol

(E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol (PubChem CID 134995178) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol
PubChem CID134995178
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol
SMILESCC1(C)COC(/C=C/CCO)O1
InChIInChI=1S/C9H16O3/c1-9(2)7-11-8(12-9)5-3-4-6-10/h3,5,8,10H,4,6-7H2,1-2H3/b5-3+
InChIKeyVELKNWABSJWMQS-HWKANZROSA-N
XLogP1.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)methanol
CID 13011793
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895
(S)-4,5-isopropylidene-2-pentenol
CID 11008188
Pentenyl-1,3-dioxolane-4-methanol, (E)-
CID 69669515
[2-(Pent-1-en-1-yl)-1,3-dioxolan-4-yl]methanol
CID 69669516
2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol
CID 139644805
(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 11819301
(R)-4,5-Isopropylidene-2-pentenol
CID 12927273
(E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol
CID 16756593
(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
CID 46186038
(4-Ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol
CID 90832799
2-[(E)-3-(4-methylpent-3-enoxy)prop-1-enyl]-1,3-dioxolane
CID 101541350

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol?
The IUPAC name of (E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol (CID 134995178) is (E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol.
What is the SMILES notation for (E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol?
The canonical SMILES for (E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol is CC1(C)COC(/C=C/CCO)O1.
What is the InChIKey of (E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol?
The InChIKey is VELKNWABSJWMQS-HWKANZROSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(2)7-11-8(12-9)5-3-4-6-10/h3,5,8,10H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of (E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol?
(E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol has a molecular weight of 172.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol is sourced from PubChem (CID 134995178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).