4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane

C10H16O3 — CID 23250999

IUPAC4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=C/C(=C/C1COC(C)(C)O1)OC
InChIInChI=1S/C10H16O3/c1-5-8(11-4)6-9-7-12-10(2,3)13-9/h5-6,9H,1,7H2,2-4H3/b8-6-
InChIKeyYCVGBQWEKAMOKC-VURMDHGXSA-N
MW184.23 g/mol
LogP1.85
Rot. Bonds3

About 4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane

4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 23250999) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID23250999
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=C/C(=C/C1COC(C)(C)O1)OC
InChIInChI=1S/C10H16O3/c1-5-8(11-4)6-9-7-12-10(2,3)13-9/h5-6,9H,1,7H2,2-4H3/b8-6-
InChIKeyYCVGBQWEKAMOKC-VURMDHGXSA-N
XLogP1.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,3-Dioxolane, 4-(3-methoxyprop-2-enylidene)-2,2,5,5-tetramethyl-
CID 6434384
(3As,7aR)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 10986433
2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane
CID 135079611
3a,7a-dihydro-2,2-dimethyl-1,3-Benzodioxole
CID 11768761
(3aS,7aS)-4-fluoro-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 21582803
(3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
CID 15315365
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734
1,4-Dioxaspiro[4.6]undeca-6,8,10-triene
CID 11469161
2-methyl-2-[(1E,3E)-5-methyl-1,3-hexadienyl]-1,3-dioxolane
CID 13265400
tributyl-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]stannane
CID 14115624
6-(1-ethoxybuta-1,3-dienyl)-3,6-dihydro-2H-pyran
CID 91598969
(3aR,7aS)-5-(1,1-dimethoxyethyl)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxole (racemic)
CID 125462066

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane (CID 23250999) is 4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane is C=C/C(=C/C1COC(C)(C)O1)OC.
What is the InChIKey of 4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is YCVGBQWEKAMOKC-VURMDHGXSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-8(11-4)6-9-7-12-10(2,3)13-9/h5-6,9H,1,7H2,2-4H3/b8-6-.
What are the key properties of 4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane?
4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 184.23 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 23250999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).