(2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one

C10H14O2 — CID 162904108

IUPAC(2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one
SMILESC=CC(C)(C)[C@@H]1C=C(C)C(=O)O1
InChIInChI=1S/C10H14O2/c1-5-10(3,4)8-6-7(2)9(11)12-8/h5-6,8H,1H2,2-4H3/t8-/m0/s1
InChIKeyUPPBLFBZDBKTNR-QMMMGPOBSA-N
MW166.22 g/mol
LogP2.07
Rot. Bonds2

About (2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one

(2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one (PubChem CID 162904108) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one
PubChem CID162904108
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one
SMILESC=CC(C)(C)[C@@H]1C=C(C)C(=O)O1
InChIInChI=1S/C10H14O2/c1-5-10(3,4)8-6-7(2)9(11)12-8/h5-6,8H,1H2,2-4H3/t8-/m0/s1
InChIKeyUPPBLFBZDBKTNR-QMMMGPOBSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethylfuran-2(5H)-one
CID 318158
Artemisyl acetate
CID 524254
2(5H)-Furanone, 5-(1-methylethyl)-
CID 558448
Asteriscunolide A
CID 13919624
(4Z,7E,10S)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
CID 13919626
(4E,7E,10S)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
CID 13919627
(4Z,7E)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
CID 21725258
(4E,7E)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
CID 13919623
Asteriscunolide B
CID 13919625
3,3,6-Trimethylhepta-1,5-dien-4-yl propanoate
CID 101415797
4-[(Z)-hex-1-enyl]-2-methyl-2H-furan-5-one
CID 67201435
(5R)-5-(1E)-1,3-Butadien-1-yl-3-(1E)-1-propen-1-yl-2(5H)-furanone
CID 10965058

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one?
The IUPAC name of (2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one (CID 162904108) is (2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one.
What is the SMILES notation for (2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one?
The canonical SMILES for (2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one is C=CC(C)(C)[C@@H]1C=C(C)C(=O)O1.
What is the InChIKey of (2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one?
The InChIKey is UPPBLFBZDBKTNR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-10(3,4)8-6-7(2)9(11)12-8/h5-6,8H,1H2,2-4H3/t8-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one?
(2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one has a molecular weight of 166.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(2-methylbut-3-en-2-yl)-2H-furan-5-one is sourced from PubChem (CID 162904108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).