3-propyl-4H-pyran

C8H12O — CID 146853790

IUPAC3-propyl-4H-pyran
SMILESCCCC1=COC=CC1
InChIInChI=1S/C8H12O/c1-2-4-8-5-3-6-9-7-8/h3,6-7H,2,4-5H2,1H3
InChIKeySJELRHCPFDDEDZ-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.60
Rot. Bonds2

About 3-propyl-4H-pyran

3-propyl-4H-pyran (PubChem CID 146853790) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-propyl-4H-pyran.

Molecular Properties

Compound Name3-propyl-4H-pyran
PubChem CID146853790
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-propyl-4H-pyran
SMILESCCCC1=COC=CC1
InChIInChI=1S/C8H12O/c1-2-4-8-5-3-6-9-7-8/h3,6-7H,2,4-5H2,1H3
InChIKeySJELRHCPFDDEDZ-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Methoxymethylene)cyclohexane
CID 12261950
3-Methyl-4,5-dihydro-oxepine
CID 146673741
4-butyl-4H-pyran
CID 15612482
(E)-1-methoxyoct-1-ene
CID 10964624
Butoxymethylidenecyclohexane
CID 12794829
Methoxy-octen
CID 53910490
2-Ethyl hexyl vinyl ether
CID 54029343
Heptenyl ether
CID 54375697
Ethyl-propyl-vinyl ether
CID 129736118
(E)-1-methoxyhept-1-ene
CID 11126280
(Ethoxymethylene)cyclohexane
CID 12361524
(1Z)-1-heptenyl methyl ether
CID 21677643

Frequently Asked Questions

What is the IUPAC name of 3-propyl-4H-pyran?
The IUPAC name of 3-propyl-4H-pyran (CID 146853790) is 3-propyl-4H-pyran.
What is the SMILES notation for 3-propyl-4H-pyran?
The canonical SMILES for 3-propyl-4H-pyran is CCCC1=COC=CC1.
What is the InChIKey of 3-propyl-4H-pyran?
The InChIKey is SJELRHCPFDDEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-4-8-5-3-6-9-7-8/h3,6-7H,2,4-5H2,1H3.
What are the key properties of 3-propyl-4H-pyran?
3-propyl-4H-pyran has a molecular weight of 124.18 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-4H-pyran is sourced from PubChem (CID 146853790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).