3-but-3-enyl-2,5-dimethyloxolan-3-ol

C10H18O2 — CID 130820501

IUPAC3-but-3-enyl-2,5-dimethyloxolan-3-ol
SMILESC=CCCC1(O)CC(C)OC1C
InChIInChI=1S/C10H18O2/c1-4-5-6-10(11)7-8(2)12-9(10)3/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyBHFPJZVJCLPTAJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds3

About 3-but-3-enyl-2,5-dimethyloxolan-3-ol

3-but-3-enyl-2,5-dimethyloxolan-3-ol (PubChem CID 130820501) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-but-3-enyl-2,5-dimethyloxolan-3-ol.

Molecular Properties

Compound Name3-but-3-enyl-2,5-dimethyloxolan-3-ol
PubChem CID130820501
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-but-3-enyl-2,5-dimethyloxolan-3-ol
SMILESC=CCCC1(O)CC(C)OC1C
InChIInChI=1S/C10H18O2/c1-4-5-6-10(11)7-8(2)12-9(10)3/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyBHFPJZVJCLPTAJ-UHFFFAOYSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S)-4-ethenyl-2-(hydroxymethyl)-2,5,5-trimethyloxolan-3-ol
CID 14589060
(2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol
CID 122537174
(2S,3R,5R)-2-ethenyl-5-methyl-5-propyloxolan-3-ol
CID 11571865
(2S,3R,5S)-2-ethenyl-5-methyl-5-propyloxolan-3-ol
CID 16220344
(2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol
CID 16726133
[(2S,3S)-3-but-3-enyl-3-methyloxiran-2-yl]methanol
CID 16752800
(3R,4R)-4-prop-1-en-2-yl-2,2-bis(prop-2-enyl)oxolan-3-ol
CID 101847806
(3S,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol
CID 132918707
(2R,3S,4S)-2-(hydroxymethyl)-4-prop-2-enyl-2,3,4,5-tetrahydrofuran-5-id-3-ol;uranium
CID 135036985
(3R,4R)-2,2-dimethyl-4-prop-1-en-2-yloxolan-3-ol
CID 135054378
(2R,3R)-3-methylhept-6-ene-1,2,3-triol
CID 162401008
(2R,3S)-3-methylhept-6-ene-1,2,3-triol
CID 162402916

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-2,5-dimethyloxolan-3-ol?
The IUPAC name of 3-but-3-enyl-2,5-dimethyloxolan-3-ol (CID 130820501) is 3-but-3-enyl-2,5-dimethyloxolan-3-ol.
What is the SMILES notation for 3-but-3-enyl-2,5-dimethyloxolan-3-ol?
The canonical SMILES for 3-but-3-enyl-2,5-dimethyloxolan-3-ol is C=CCCC1(O)CC(C)OC1C.
What is the InChIKey of 3-but-3-enyl-2,5-dimethyloxolan-3-ol?
The InChIKey is BHFPJZVJCLPTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-6-10(11)7-8(2)12-9(10)3/h4,8-9,11H,1,5-7H2,2-3H3.
What are the key properties of 3-but-3-enyl-2,5-dimethyloxolan-3-ol?
3-but-3-enyl-2,5-dimethyloxolan-3-ol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-2,5-dimethyloxolan-3-ol is sourced from PubChem (CID 130820501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).