3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran

C10H12O — CID 12634769

IUPAC3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran
SMILESC1=CCC(C2C=COC2)=CC1
InChIInChI=1S/C10H12O/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-2,5-7,10H,3-4,8H2
InChIKeyYGEDUQGQJYQDEI-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.42
Rot. Bonds1

About 3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran

3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran (PubChem CID 12634769) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran.

Molecular Properties

Compound Name3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran
PubChem CID12634769
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran
SMILESC1=CCC(C2C=COC2)=CC1
InChIInChI=1S/C10H12O/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-2,5-7,10H,3-4,8H2
InChIKeyYGEDUQGQJYQDEI-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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

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CID 101790812
2-Methoxynorbornadiene
CID 144651
(4E)-4-(2,2-dimethylpropylidene)-5-methyl-3,5-dihydro-2H-oxepine
CID 12986855
3-(Methoxymethyl)-4-methylidenecyclopentene
CID 10909566
3-(Methoxymethyl)cyclopentene
CID 11072675
3-(Ethenoxymethyl)cyclohexene
CID 12820538
4-[(Ethenyloxy)methyl]cyclohex-1-ene
CID 15731378
1,7a-Dihydro-2-benzofuran
CID 20067307
2,3,4,7-Tetrahydro-1-benzofuran
CID 21791739
3-(Cyclohexen-1-yl)-2,3-dihydrofuran
CID 54114046
3,6-Dimethyl-2,3,4,7-tetrahydro-1-benzofuran
CID 59986092
(3S,5R)-3-(methoxymethyl)-5-methylcyclopentene
CID 68034805

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran?
The IUPAC name of 3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran (CID 12634769) is 3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran.
What is the SMILES notation for 3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran?
The canonical SMILES for 3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran is C1=CCC(C2C=COC2)=CC1.
What is the InChIKey of 3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran?
The InChIKey is YGEDUQGQJYQDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-2,5-7,10H,3-4,8H2.
What are the key properties of 3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran?
3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran has a molecular weight of 148.20 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,4-dien-1-yl-2,3-dihydrofuran is sourced from PubChem (CID 12634769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).