5-methyl-5-prop-2-ynyloxolan-2-one

C8H10O2 — CID 13357607

IUPAC5-methyl-5-prop-2-ynyloxolan-2-one
SMILESC#CCC1(C)CCC(=O)O1
InChIInChI=1S/C8H10O2/c1-3-5-8(2)6-4-7(9)10-8/h1H,4-6H2,2H3
InChIKeyHEGCMWSNTHDSTK-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.11
Rot. Bonds1

About 5-methyl-5-prop-2-ynyloxolan-2-one

5-methyl-5-prop-2-ynyloxolan-2-one (PubChem CID 13357607) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-methyl-5-prop-2-ynyloxolan-2-one.

Molecular Properties

Compound Name5-methyl-5-prop-2-ynyloxolan-2-one
PubChem CID13357607
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5-methyl-5-prop-2-ynyloxolan-2-one
SMILESC#CCC1(C)CCC(=O)O1
InChIInChI=1S/C8H10O2/c1-3-5-8(2)6-4-7(9)10-8/h1H,4-6H2,2H3
InChIKeyHEGCMWSNTHDSTK-UHFFFAOYSA-N
XLogP1.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-(2-trimethylsilylethyl)oxolan-2-one
CID 10987279
5-(ethoxymethyl)-5-methyloxolan-2-one
CID 103439717
5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one
CID 174285026
5-(cyclobutylmethyl)-5-methyloxolan-2-one
CID 103439680
methyl 2-(2-methyl-5-oxooxolan-2-yl)acetate
CID 14542737
5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one
CID 11332852
(6S)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 14165937
(6R)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 129388764
2,3,5-trimethyl-6-[2-(2-methyl-5-oxooxolan-2-yl)ethyl]cyclohexa-2,5-diene-1,4-dione
CID 3081993
5-(4,8-dimethylnonyl)-5-methyloxolan-2-one
CID 567139
5-(2-hydroxy-4-methylpent-3-enyl)-5-methyloxolan-2-one
CID 77139226
5-iodo-5-methyloxolan-2-one
CID 129281770

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-prop-2-ynyloxolan-2-one?
The IUPAC name of 5-methyl-5-prop-2-ynyloxolan-2-one (CID 13357607) is 5-methyl-5-prop-2-ynyloxolan-2-one.
What is the SMILES notation for 5-methyl-5-prop-2-ynyloxolan-2-one?
The canonical SMILES for 5-methyl-5-prop-2-ynyloxolan-2-one is C#CCC1(C)CCC(=O)O1.
What is the InChIKey of 5-methyl-5-prop-2-ynyloxolan-2-one?
The InChIKey is HEGCMWSNTHDSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-5-8(2)6-4-7(9)10-8/h1H,4-6H2,2H3.
What are the key properties of 5-methyl-5-prop-2-ynyloxolan-2-one?
5-methyl-5-prop-2-ynyloxolan-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-prop-2-ynyloxolan-2-one is sourced from PubChem (CID 13357607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).