(4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane

C10H18O3 — CID 134546292

IUPAC(4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane
SMILESC=CC(C)(OC)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O3/c1-6-10(4,11-5)8-7-12-9(2,3)13-8/h6,8H,1,7H2,2-5H3/t8-,10?/m1/s1
InChIKeyJLXZYWZEAMFVNI-HNHGDDPOSA-N
MW186.25 g/mol
LogP1.73
Rot. Bonds3

About (4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane

(4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 134546292) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane
PubChem CID134546292
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane
SMILESC=CC(C)(OC)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O3/c1-6-10(4,11-5)8-7-12-9(2,3)13-8/h6,8H,1,7H2,2-5H3/t8-,10?/m1/s1
InChIKeyJLXZYWZEAMFVNI-HNHGDDPOSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane (CID 134546292) is (4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane is C=CC(C)(OC)[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is JLXZYWZEAMFVNI-HNHGDDPOSA-N. The full InChI is InChI=1S/C10H18O3/c1-6-10(4,11-5)8-7-12-9(2,3)13-8/h6,8H,1,7H2,2-5H3/t8-,10?/m1/s1.
What are the key properties of (4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane?
(4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 186.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 134546292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).