2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane

C10H18O4 — CID 10512292

IUPAC2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane
SMILESCOC(OC)/C(C)=C/CC1OCCO1
InChIInChI=1S/C10H18O4/c1-8(10(11-2)12-3)4-5-9-13-6-7-14-9/h4,9-10H,5-7H2,1-3H3/b8-4+
InChIKeyLNHKWSHCMWTBGK-XBXARRHUSA-N
MW202.25 g/mol
LogP1.31
Rot. Bonds5

About 2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane

2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane (PubChem CID 10512292) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane
PubChem CID10512292
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane
SMILESCOC(OC)/C(C)=C/CC1OCCO1
InChIInChI=1S/C10H18O4/c1-8(10(11-2)12-3)4-5-9-13-6-7-14-9/h4,9-10H,5-7H2,1-3H3/b8-4+
InChIKeyLNHKWSHCMWTBGK-XBXARRHUSA-N
XLogP1.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane (CID 10512292) is 2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane is COC(OC)/C(C)=C/CC1OCCO1.
What is the InChIKey of 2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane?
The InChIKey is LNHKWSHCMWTBGK-XBXARRHUSA-N. The full InChI is InChI=1S/C10H18O4/c1-8(10(11-2)12-3)4-5-9-13-6-7-14-9/h4,9-10H,5-7H2,1-3H3/b8-4+.
What are the key properties of 2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane?
2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane has a molecular weight of 202.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4,4-dimethoxy-3-methylbut-2-enyl]-1,3-dioxolane is sourced from PubChem (CID 10512292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).