1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol

C9H16O3 — CID 14039904

IUPAC1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
SMILESC=CC(O)C1OC(C)(C)OC1C
InChIInChI=1S/C9H16O3/c1-5-7(10)8-6(2)11-9(3,4)12-8/h5-8,10H,1H2,2-4H3
InChIKeyGPJHYNOTVRBZAZ-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.07
Rot. Bonds2

About 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol

1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol (PubChem CID 14039904) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
PubChem CID14039904
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
SMILESC=CC(O)C1OC(C)(C)OC1C
InChIInChI=1S/C9H16O3/c1-5-7(10)8-6(2)11-9(3,4)12-8/h5-8,10H,1H2,2-4H3
InChIKeyGPJHYNOTVRBZAZ-UHFFFAOYSA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.07
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

(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 101190281
(4S,5R)-4-[(1S)-1-bromoprop-2-enyl]-2,2,5-trimethyl-1,3-dioxolane
CID 10728434
5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 166449162
(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 11286917
(1R)-1-[(4S,5R)-5-[(4S,5S)-5-(iodomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 11395412
(1R)-1-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 166449238
(1R)-1-[(4S,5S)-5-[(S)-hydroxy(phenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 71559956
(1R)-1-[(4S,5R)-5-(1,3-diazinan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 23243804
(4S,5R)-5-[(1S)-1-hydroxyprop-2-enyl]-N-methoxy-N,2,2-trimethyl-1,3-dioxolane-4-carboxamide
CID 164675424
[(4R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 134840498
(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 102435933
(1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol
CID 69074201

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol?
The IUPAC name of 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol (CID 14039904) is 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol is C=CC(O)C1OC(C)(C)OC1C.
What is the InChIKey of 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol?
The InChIKey is GPJHYNOTVRBZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-5-7(10)8-6(2)11-9(3,4)12-8/h5-8,10H,1H2,2-4H3.
What are the key properties of 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol?
1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol has a molecular weight of 172.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 14039904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).