(2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran

C15H26O — CID 59026896

IUPAC(2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran
SMILESCC1=CCO[C@H](/C=C(\C)[C@H](C)C(C)(C)C)C1
InChIInChI=1S/C15H26O/c1-11-7-8-16-14(9-11)10-12(2)13(3)15(4,5)6/h7,10,13-14H,8-9H2,1-6H3/b12-10+/t13-,14-/m0/s1
InChIKeySOHKAHQCVBKWHH-IRTDIPEASA-N
MW222.37 g/mol
LogP4.35
Rot. Bonds2

About (2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran

(2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran (PubChem CID 59026896) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran
PubChem CID59026896
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran
SMILESCC1=CCO[C@H](/C=C(\C)[C@H](C)C(C)(C)C)C1
InChIInChI=1S/C15H26O/c1-11-7-8-16-14(9-11)10-12(2)13(3)15(4,5)6/h7,10,13-14H,8-9H2,1-6H3/b12-10+/t13-,14-/m0/s1
InChIKeySOHKAHQCVBKWHH-IRTDIPEASA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran?
The IUPAC name of (2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran (CID 59026896) is (2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran is CC1=CCO[C@H](/C=C(\C)[C@H](C)C(C)(C)C)C1.
What is the InChIKey of (2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran?
The InChIKey is SOHKAHQCVBKWHH-IRTDIPEASA-N. The full InChI is InChI=1S/C15H26O/c1-11-7-8-16-14(9-11)10-12(2)13(3)15(4,5)6/h7,10,13-14H,8-9H2,1-6H3/b12-10+/t13-,14-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran?
(2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran has a molecular weight of 222.37 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(E,3R)-2,3,4,4-tetramethylpent-1-enyl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 59026896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).