4-butyl-3,4-dihydro-2H-pyran

C9H16O — CID 15353587

IUPAC4-butyl-3,4-dihydro-2H-pyran
SMILESCCCCC1C=COCC1
InChIInChI=1S/C9H16O/c1-2-3-4-9-5-7-10-8-6-9/h5,7,9H,2-4,6,8H2,1H3
InChIKeyYXPXNYQEXPHNJX-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds3

About 4-butyl-3,4-dihydro-2H-pyran

4-butyl-3,4-dihydro-2H-pyran (PubChem CID 15353587) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-butyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name4-butyl-3,4-dihydro-2H-pyran
PubChem CID15353587
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-butyl-3,4-dihydro-2H-pyran
SMILESCCCCC1C=COCC1
InChIInChI=1S/C9H16O/c1-2-3-4-9-5-7-10-8-6-9/h5,7,9H,2-4,6,8H2,1H3
InChIKeyYXPXNYQEXPHNJX-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Oxaspiro(5.5)undecene, 4-methyl-
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(1-Methoxy-vinyl)-cyclohexane
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[(Z)-1-deuterio-3,3-dimethylbut-1-enoxy]methylcyclohexane
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tributyl-[(E)-1-(cyclohexylmethoxy)hex-1-enyl]stannane
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[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane
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[(E)-2-methoxyethenyl]cyclohexane
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[(Z)-2-methoxyethenyl]cyclohexane
CID 12552146
3-Cyclohexyldihydropyran
CID 20290313
Cyclohexyl divinyl ether
CID 57018671
2-Methoxyethenylcyclohexane
CID 57065092
[(E)-2-ethoxyethenyl]cyclohexane
CID 13163949
(3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene
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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3,4-dihydro-2H-pyran?
The IUPAC name of 4-butyl-3,4-dihydro-2H-pyran (CID 15353587) is 4-butyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 4-butyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 4-butyl-3,4-dihydro-2H-pyran is CCCCC1C=COCC1.
What is the InChIKey of 4-butyl-3,4-dihydro-2H-pyran?
The InChIKey is YXPXNYQEXPHNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-4-9-5-7-10-8-6-9/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of 4-butyl-3,4-dihydro-2H-pyran?
4-butyl-3,4-dihydro-2H-pyran has a molecular weight of 140.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 15353587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).