(4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane

C13H18O3 — CID 71365815

IUPAC(4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane
SMILESCc1ccccc1OC[C@H]1COC(C)(C)O1
InChIInChI=1S/C13H18O3/c1-10-6-4-5-7-12(10)14-8-11-9-15-13(2,3)16-11/h4-7,11H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyVWYJFDMNXJTNQS-NSHDSACASA-N
MW222.28 g/mol
LogP2.53
Rot. Bonds3

About (4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane (PubChem CID 71365815) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane
PubChem CID71365815
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane
SMILESCc1ccccc1OC[C@H]1COC(C)(C)O1
InChIInChI=1S/C13H18O3/c1-10-6-4-5-7-12(10)14-8-11-9-15-13(2,3)16-11/h4-7,11H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyVWYJFDMNXJTNQS-NSHDSACASA-N
XLogP2.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane (CID 71365815) is (4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane is Cc1ccccc1OC[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane?
The InChIKey is VWYJFDMNXJTNQS-NSHDSACASA-N. The full InChI is InChI=1S/C13H18O3/c1-10-6-4-5-7-12(10)14-8-11-9-15-13(2,3)16-11/h4-7,11H,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane has a molecular weight of 222.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane is sourced from PubChem (CID 71365815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).