2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol

C9H16O2 — CID 170847998

IUPAC2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol
SMILESC=CCC(C)(O)C1OC1(C)C
InChIInChI=1S/C9H16O2/c1-5-6-9(4,10)7-8(2,3)11-7/h5,7,10H,1,6H2,2-4H3
InChIKeyDXYOLIFPGKGYLD-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds3

About 2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol

2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol (PubChem CID 170847998) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol.

Molecular Properties

Compound Name2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol
PubChem CID170847998
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol
SMILESC=CCC(C)(O)C1OC1(C)C
InChIInChI=1S/C9H16O2/c1-5-6-9(4,10)7-8(2,3)11-7/h5,7,10H,1,6H2,2-4H3
InChIKeyDXYOLIFPGKGYLD-UHFFFAOYSA-N
XLogP1.49
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,10-Dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol
CID 75987722
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-
CID 530403
Linalool oxide (5-ring)
CID 102611
[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 10855926
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-, (2S,3S)-
CID 10909994
[(2R,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 11116488
1,2-Oxidolinalool
CID 44144481
2,3-Epoxy-3,7,11-trimethyl-6,10-dodecadienol
CID 72770693
[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 10986703
(2S,3S)-2,3-Epoxyfarnesol
CID 11253414
2-[3-(2-Methylbut-3-en-2-yl)oxiran-2-yl]propan-2-ol
CID 170848052
6-methyl-2-[(2S)-oxiran-2-yl]hept-5-en-2-ol
CID 168150186

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol?
The IUPAC name of 2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol (CID 170847998) is 2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol.
What is the SMILES notation for 2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol?
The canonical SMILES for 2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol is C=CCC(C)(O)C1OC1(C)C.
What is the InChIKey of 2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol?
The InChIKey is DXYOLIFPGKGYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-6-9(4,10)7-8(2,3)11-7/h5,7,10H,1,6H2,2-4H3.
What are the key properties of 2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol?
2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol has a molecular weight of 156.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyloxiran-2-yl)pent-4-en-2-ol is sourced from PubChem (CID 170847998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).