(5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane

C11H20O3 — CID 155407417

IUPAC(5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCOC[C@H]1OC(C)(C)OC1C1CCC1
InChIInChI=1S/C11H20O3/c1-11(2)13-9(7-12-3)10(14-11)8-5-4-6-8/h8-10H,4-7H2,1-3H3/t9-,10?/m1/s1
InChIKeyBXADNEQRPSHFEP-YHMJZVADSA-N
MW200.28 g/mol
LogP1.95
Rot. Bonds3

About (5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane

(5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 155407417) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID155407417
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCOC[C@H]1OC(C)(C)OC1C1CCC1
InChIInChI=1S/C11H20O3/c1-11(2)13-9(7-12-3)10(14-11)8-5-4-6-8/h8-10H,4-7H2,1-3H3/t9-,10?/m1/s1
InChIKeyBXADNEQRPSHFEP-YHMJZVADSA-N
XLogP1.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane (CID 155407417) is (5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane is COC[C@H]1OC(C)(C)OC1C1CCC1.
What is the InChIKey of (5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is BXADNEQRPSHFEP-YHMJZVADSA-N. The full InChI is InChI=1S/C11H20O3/c1-11(2)13-9(7-12-3)10(14-11)8-5-4-6-8/h8-10H,4-7H2,1-3H3/t9-,10?/m1/s1.
What are the key properties of (5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane?
(5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 200.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 155407417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).