6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran

C17H22O5 — CID 135060989

IUPAC6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran
SMILESC=C1OC(OC)C(OCc2ccccc2)C2OC(C)(C)OC12
InChIInChI=1S/C17H22O5/c1-11-13-14(22-17(2,3)21-13)15(16(18-4)20-11)19-10-12-8-6-5-7-9-12/h5-9,13-16H,1,10H2,2-4H3
InChIKeyOIMKGBGOCZOCIA-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.61
Rot. Bonds4

About 6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran

6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran (PubChem CID 135060989) has the molecular formula C17H22O5 and a molecular weight of 306.36 g/mol. Its IUPAC name is 6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran.

Molecular Properties

Compound Name6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran
PubChem CID135060989
Molecular FormulaC17H22O5
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Name6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran
SMILESC=C1OC(OC)C(OCc2ccccc2)C2OC(C)(C)OC12
InChIInChI=1S/C17H22O5/c1-11-13-14(22-17(2,3)21-13)15(16(18-4)20-11)19-10-12-8-6-5-7-9-12/h5-9,13-16H,1,10H2,2-4H3
InChIKeyOIMKGBGOCZOCIA-UHFFFAOYSA-N
XLogP2.61
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran?
The IUPAC name of 6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran (CID 135060989) is 6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran.
What is the SMILES notation for 6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran?
The canonical SMILES for 6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran is C=C1OC(OC)C(OCc2ccccc2)C2OC(C)(C)OC12.
What is the InChIKey of 6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran?
The InChIKey is OIMKGBGOCZOCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O5/c1-11-13-14(22-17(2,3)21-13)15(16(18-4)20-11)19-10-12-8-6-5-7-9-12/h5-9,13-16H,1,10H2,2-4H3.
What are the key properties of 6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran?
6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran has a molecular weight of 306.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2-dimethyl-4-methylidene-7-phenylmethoxy-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran is sourced from PubChem (CID 135060989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).