5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran

C10H12O — CID 174154316

IUPAC5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran
SMILESC#C/C=C\C1=C(C)CCOC1
InChIInChI=1S/C10H12O/c1-3-4-5-10-8-11-7-6-9(10)2/h1,4-5H,6-8H2,2H3/b5-4-
InChIKeyQEKBVZORBRDHCA-PLNGDYQASA-N
MW148.20 g/mol
LogP1.91
Rot. Bonds1

About 5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran

5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran (PubChem CID 174154316) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran
PubChem CID174154316
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran
SMILESC#C/C=C\C1=C(C)CCOC1
InChIInChI=1S/C10H12O/c1-3-4-5-10-8-11-7-6-9(10)2/h1,4-5H,6-8H2,2H3/b5-4-
InChIKeyQEKBVZORBRDHCA-PLNGDYQASA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of 5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran (CID 174154316) is 5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran is C#C/C=C\C1=C(C)CCOC1.
What is the InChIKey of 5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran?
The InChIKey is QEKBVZORBRDHCA-PLNGDYQASA-N. The full InChI is InChI=1S/C10H12O/c1-3-4-5-10-8-11-7-6-9(10)2/h1,4-5H,6-8H2,2H3/b5-4-.
What are the key properties of 5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran?
5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran has a molecular weight of 148.20 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-en-3-ynyl]-4-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 174154316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).