(2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane

C10H16O — CID 14379831

IUPAC(2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane
SMILESC=C(C)/C=C/[C@@H]1C[C@@H](C)CO1
InChIInChI=1S/C10H16O/c1-8(2)4-5-10-6-9(3)7-11-10/h4-5,9-10H,1,6-7H2,2-3H3/b5-4+/t9-,10-/m1/s1
InChIKeySULWOTZUSYCRIP-NUNSBDKSSA-N
MW152.24 g/mol
LogP2.54
Rot. Bonds2

About (2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane

(2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane (PubChem CID 14379831) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane.

Molecular Properties

Compound Name(2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane
PubChem CID14379831
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane
SMILESC=C(C)/C=C/[C@@H]1C[C@@H](C)CO1
InChIInChI=1S/C10H16O/c1-8(2)4-5-10-6-9(3)7-11-10/h4-5,9-10H,1,6-7H2,2-3H3/b5-4+/t9-,10-/m1/s1
InChIKeySULWOTZUSYCRIP-NUNSBDKSSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]oxolane
CID 131751905
Marmelo oxide A
CID 14379832
4-Methyl-2-(3-methylbuta-1,3-dienyl)oxolane
CID 86247097
2-(2-Methylprop-1-enyl)tetrahydrofuran
CID 12735917
5-Isopropenyl-3-isopropyl-2,2-dimethyl-2,5-dihydrofuran
CID 596568
2-Butyl-4-prop-2-enyl-2,5-dihydrofuran
CID 11052025
2-[(E)-hex-1-enyl]oxolane
CID 21856078
1-Butoxy-2,6-dimethyl-2,7-octadiene
CID 91083555
Cratenin
CID 178328700
2-(1,3-Hexadien-1-yl)-5-methyltetrahydrofuran
CID 53816948
(2R,5S)-2-Methyl-5-(2-methylprop-1-en-1-yl)tetrahydrofuran
CID 70678383
2-Pent-1-enyloxolane
CID 85393176

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane?
The IUPAC name of (2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane (CID 14379831) is (2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane.
What is the SMILES notation for (2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane?
The canonical SMILES for (2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane is C=C(C)/C=C/[C@@H]1C[C@@H](C)CO1.
What is the InChIKey of (2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane?
The InChIKey is SULWOTZUSYCRIP-NUNSBDKSSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)4-5-10-6-9(3)7-11-10/h4-5,9-10H,1,6-7H2,2-3H3/b5-4+/t9-,10-/m1/s1.
What are the key properties of (2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane?
(2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane has a molecular weight of 152.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxolane is sourced from PubChem (CID 14379831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).