2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one

C10H14O6 — CID 20617452

IUPAC2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one
SMILESCC1(C)OC2COC3(COCO3)C(=O)C2O1
InChIInChI=1S/C10H14O6/c1-9(2)15-6-3-13-10(4-12-5-14-10)8(11)7(6)16-9/h6-7H,3-5H2,1-2H3
InChIKeyRHCHMXHCAWOSAO-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.19
Rot. Bonds

About 2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one

2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one (PubChem CID 20617452) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one.

Molecular Properties

Compound Name2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one
PubChem CID20617452
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one
SMILESCC1(C)OC2COC3(COCO3)C(=O)C2O1
InChIInChI=1S/C10H14O6/c1-9(2)15-6-3-13-10(4-12-5-14-10)8(11)7(6)16-9/h6-7H,3-5H2,1-2H3
InChIKeyRHCHMXHCAWOSAO-UHFFFAOYSA-N
XLogP-0.19
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one?
The IUPAC name of 2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one (CID 20617452) is 2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one.
What is the SMILES notation for 2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one?
The canonical SMILES for 2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one is CC1(C)OC2COC3(COCO3)C(=O)C2O1.
What is the InChIKey of 2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one?
The InChIKey is RHCHMXHCAWOSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-9(2)15-6-3-13-10(4-12-5-14-10)8(11)7(6)16-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one?
2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one has a molecular weight of 230.22 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one is sourced from PubChem (CID 20617452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).