4-penta-2,4-dien-2-yloxane

C10H16O — CID 123816222

IUPAC4-penta-2,4-dien-2-yloxane
SMILESC=CC=C(C)C1CCOCC1
InChIInChI=1S/C10H16O/c1-3-4-9(2)10-5-7-11-8-6-10/h3-4,10H,1,5-8H2,2H3
InChIKeyWRQVYYCRPCQXGN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.55
Rot. Bonds2

About 4-penta-2,4-dien-2-yloxane

4-penta-2,4-dien-2-yloxane (PubChem CID 123816222) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-penta-2,4-dien-2-yloxane.

Molecular Properties

Compound Name4-penta-2,4-dien-2-yloxane
PubChem CID123816222
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-penta-2,4-dien-2-yloxane
SMILESC=CC=C(C)C1CCOCC1
InChIInChI=1S/C10H16O/c1-3-4-9(2)10-5-7-11-8-6-10/h3-4,10H,1,5-8H2,2H3
InChIKeyWRQVYYCRPCQXGN-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-prop-1-enyl]oxane
CID 21691514
4-(Ethoxymethyl)cyclohexene
CID 85982053
(E)-4-(3,3-dimethylbut-1-en-1-yl)tetrahydro-2H-pyran
CID 126642344
2-Fluoro-5-(2-methoxyethyl)cyclohexa-1,3-diene
CID 70336639
5-(1-Fluoro-2-methoxyethyl)cyclohexa-1,3-diene
CID 70336641
1-Fluoro-6-(2-methoxyethyl)cyclohexa-1,3-diene
CID 70336647
3-Fluoro-5-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene
CID 129180369
4-[(E)-3-fluoro-2-methylidenepent-3-enyl]oxane
CID 167014378
Tetrahydrocyclohepta[c]pyran
CID 129867178
4-[(E)-non-1-enyl]oxane
CID 176426755
(3Z,5E)-2-fluoro-4,6,7-trimethyl-9-propoxynona-3,5-diene
CID 142823394
4-[(2E,4Z,6Z)-5,6-diethyl-2-fluoroocta-2,4,6-trien-3-yl]oxane
CID 143270762

Frequently Asked Questions

What is the IUPAC name of 4-penta-2,4-dien-2-yloxane?
The IUPAC name of 4-penta-2,4-dien-2-yloxane (CID 123816222) is 4-penta-2,4-dien-2-yloxane.
What is the SMILES notation for 4-penta-2,4-dien-2-yloxane?
The canonical SMILES for 4-penta-2,4-dien-2-yloxane is C=CC=C(C)C1CCOCC1.
What is the InChIKey of 4-penta-2,4-dien-2-yloxane?
The InChIKey is WRQVYYCRPCQXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-4-9(2)10-5-7-11-8-6-10/h3-4,10H,1,5-8H2,2H3.
What are the key properties of 4-penta-2,4-dien-2-yloxane?
4-penta-2,4-dien-2-yloxane has a molecular weight of 152.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-penta-2,4-dien-2-yloxane is sourced from PubChem (CID 123816222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).