(4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane

C11H18O3 — CID 129199121

IUPAC(4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)C1OC(C)(C)O[C@H]1C(=C)OC
InChIInChI=1S/C11H18O3/c1-7(2)9-10(8(3)12-6)14-11(4,5)13-9/h9-10H,1,3H2,2,4-6H3/t9?,10-/m0/s1
InChIKeyAMCFNXDUWQYDMZ-AXDSSHIGSA-N
MW198.26 g/mol
LogP2.24
Rot. Bonds3

About (4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane

(4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane (PubChem CID 129199121) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane
PubChem CID129199121
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)C1OC(C)(C)O[C@H]1C(=C)OC
InChIInChI=1S/C11H18O3/c1-7(2)9-10(8(3)12-6)14-11(4,5)13-9/h9-10H,1,3H2,2,4-6H3/t9?,10-/m0/s1
InChIKeyAMCFNXDUWQYDMZ-AXDSSHIGSA-N
XLogP2.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane?
The IUPAC name of (4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane (CID 129199121) is (4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane?
The canonical SMILES for (4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane is C=C(C)C1OC(C)(C)O[C@H]1C(=C)OC.
What is the InChIKey of (4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane?
The InChIKey is AMCFNXDUWQYDMZ-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H18O3/c1-7(2)9-10(8(3)12-6)14-11(4,5)13-9/h9-10H,1,3H2,2,4-6H3/t9?,10-/m0/s1.
What are the key properties of (4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane?
(4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane has a molecular weight of 198.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane is sourced from PubChem (CID 129199121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).