5-but-3-en-2-yl-4-methyloxolan-2-ol

C9H16O2 — CID 130150445

IUPAC5-but-3-en-2-yl-4-methyloxolan-2-ol
SMILESC=CC(C)C1OC(O)CC1C
InChIInChI=1S/C9H16O2/c1-4-6(2)9-7(3)5-8(10)11-9/h4,6-10H,1,5H2,2-3H3
InChIKeyNLUSAWJJLDUGCM-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.55
Rot. Bonds2

About 5-but-3-en-2-yl-4-methyloxolan-2-ol

5-but-3-en-2-yl-4-methyloxolan-2-ol (PubChem CID 130150445) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 5-but-3-en-2-yl-4-methyloxolan-2-ol.

Molecular Properties

Compound Name5-but-3-en-2-yl-4-methyloxolan-2-ol
PubChem CID130150445
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name5-but-3-en-2-yl-4-methyloxolan-2-ol
SMILESC=CC(C)C1OC(O)CC1C
InChIInChI=1S/C9H16O2/c1-4-6(2)9-7(3)5-8(10)11-9/h4,6-10H,1,5H2,2-3H3
InChIKeyNLUSAWJJLDUGCM-UHFFFAOYSA-N
XLogP1.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.55
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

4-methyl-5-propan-2-yloxolan-2-ol
CID 85393181
(1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol
CID 158468471
(2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol
CID 11240621
(2R,3S)-2-[(2R)-but-3-en-2-yl]oxan-3-ol
CID 46895046
(4S,5S)-5-ethyl-4-methyloxolan-2-ol
CID 59992917
(4S,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-ol
CID 121216137
(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
CID 131085661
[(2S,3S)-3-but-3-en-2-yloxiran-2-yl]methanol
CID 5324179
4-methyl-5-prop-1-en-2-yloxolan-2-ol
CID 14174436
CID 169173785
CID 169173785
(2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal
CID 134854754
ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol
CID 156740552

Frequently Asked Questions

What is the IUPAC name of 5-but-3-en-2-yl-4-methyloxolan-2-ol?
The IUPAC name of 5-but-3-en-2-yl-4-methyloxolan-2-ol (CID 130150445) is 5-but-3-en-2-yl-4-methyloxolan-2-ol.
What is the SMILES notation for 5-but-3-en-2-yl-4-methyloxolan-2-ol?
The canonical SMILES for 5-but-3-en-2-yl-4-methyloxolan-2-ol is C=CC(C)C1OC(O)CC1C.
What is the InChIKey of 5-but-3-en-2-yl-4-methyloxolan-2-ol?
The InChIKey is NLUSAWJJLDUGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-6(2)9-7(3)5-8(10)11-9/h4,6-10H,1,5H2,2-3H3.
What are the key properties of 5-but-3-en-2-yl-4-methyloxolan-2-ol?
5-but-3-en-2-yl-4-methyloxolan-2-ol has a molecular weight of 156.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-en-2-yl-4-methyloxolan-2-ol is sourced from PubChem (CID 130150445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).