(2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran

C12H20O — CID 101219637

IUPAC(2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=C(CCCC)[C@H](C)OC1
InChIInChI=1S/C12H20O/c1-4-6-8-12-10(3)13-9-11(12)7-5-2/h5,10H,2,4,6-9H2,1,3H3/t10-/m0/s1
InChIKeyTUIOIJBHRGDYGS-JTQLQIEISA-N
MW180.29 g/mol
LogP3.47
Rot. Bonds5

About (2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran

(2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran (PubChem CID 101219637) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran.

Molecular Properties

Compound Name(2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran
PubChem CID101219637
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran
SMILESC=CCC1=C(CCCC)[C@H](C)OC1
InChIInChI=1S/C12H20O/c1-4-6-8-12-10(3)13-9-11(12)7-5-2/h5,10H,2,4,6-9H2,1,3H3/t10-/m0/s1
InChIKeyTUIOIJBHRGDYGS-JTQLQIEISA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran
CID 92002
Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan
CID 6436627
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
2,4,5,7a-Tetrahydro-3,6-dimethylbenzofuran
CID 21606187
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
CID 23425614
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148
2H-Pyran, 3,6-dihydro-4-(4-methyl-3-penten-1-yl)-
CID 91909
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
(2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888684
2,4,5,6,7,7a-Hexahydro-1-benzofuran
CID 275994
(2S,5S)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888683

Frequently Asked Questions

What is the IUPAC name of (2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran?
The IUPAC name of (2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran (CID 101219637) is (2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran.
What is the SMILES notation for (2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran?
The canonical SMILES for (2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran is C=CCC1=C(CCCC)[C@H](C)OC1.
What is the InChIKey of (2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran?
The InChIKey is TUIOIJBHRGDYGS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20O/c1-4-6-8-12-10(3)13-9-11(12)7-5-2/h5,10H,2,4,6-9H2,1,3H3/t10-/m0/s1.
What are the key properties of (2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran?
(2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran has a molecular weight of 180.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-butyl-2-methyl-4-prop-2-enyl-2,5-dihydrofuran is sourced from PubChem (CID 101219637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).