2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran

C8H12O — CID 12730046

IUPAC2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran
SMILESC/C=C/C1CCC=CO1
InChIInChI=1S/C8H12O/c1-2-5-8-6-3-4-7-9-8/h2,4-5,7-8H,3,6H2,1H3/b5-2+
InChIKeyRPJUPIPCMODPSY-GORDUTHDSA-N
MW124.18 g/mol
LogP2.26
Rot. Bonds1

About 2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran

2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran (PubChem CID 12730046) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran
PubChem CID12730046
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran
SMILESC/C=C/C1CCC=CO1
InChIInChI=1S/C8H12O/c1-2-5-8-6-3-4-7-9-8/h2,4-5,7-8H,3,6H2,1H3/b5-2+
InChIKeyRPJUPIPCMODPSY-GORDUTHDSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxycyclohex-1-ene
CID 137685
3-Methoxy-1-cyclopentene
CID 142383
3-Ethoxycyclohexene
CID 285902
1-Isopropoxy-2,7-octadiene
CID 11286698
3-(Propan-2-yloxy)cyclohexene
CID 230450
(E)-4-ethenoxyoct-2-ene
CID 12163450
6-propyl-3,6-dihydro-2H-pyran
CID 12507030
6-methyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyran
CID 12734639
(3RS,6RS)-3,6-Dimethoxy-cyclohexene
CID 12723453
(3R,6S)-3,6-Dimethoxy-cyclohexene
CID 12723454
3-(Ethenyloxy)cyclohex-1-ene
CID 12734632
Dimethoxycyclohexadiene
CID 14358150

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran (CID 12730046) is 2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran is C/C=C/C1CCC=CO1.
What is the InChIKey of 2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran?
The InChIKey is RPJUPIPCMODPSY-GORDUTHDSA-N. The full InChI is InChI=1S/C8H12O/c1-2-5-8-6-3-4-7-9-8/h2,4-5,7-8H,3,6H2,1H3/b5-2+.
What are the key properties of 2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran?
2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran has a molecular weight of 124.18 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 12730046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).