5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane]

C12H20O3 — CID 137402986

IUPAC5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane]
SMILESCC1OCCC2OC3(CCCO3)CCC12
InChIInChI=1S/C12H20O3/c1-9-10-3-6-12(5-2-7-14-12)15-11(10)4-8-13-9/h9-11H,2-8H2,1H3
InChIKeyMYPZCZDFGZEVCP-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.10
Rot. Bonds

About 5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane]

5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane] (PubChem CID 137402986) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane].

Molecular Properties

Compound Name5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane]
PubChem CID137402986
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane]
SMILESCC1OCCC2OC3(CCCO3)CCC12
InChIInChI=1S/C12H20O3/c1-9-10-3-6-12(5-2-7-14-12)15-11(10)4-8-13-9/h9-11H,2-8H2,1H3
InChIKeyMYPZCZDFGZEVCP-UHFFFAOYSA-N
XLogP2.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane]?
The IUPAC name of 5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane] (CID 137402986) is 5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane].
What is the SMILES notation for 5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane]?
The canonical SMILES for 5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane] is CC1OCCC2OC3(CCCO3)CCC12.
What is the InChIKey of 5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane]?
The InChIKey is MYPZCZDFGZEVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9-10-3-6-12(5-2-7-14-12)15-11(10)4-8-13-9/h9-11H,2-8H2,1H3.
What are the key properties of 5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane]?
5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane] has a molecular weight of 212.29 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[4,4a,5,7,8,8a-hexahydro-3H-pyrano[3,2-c]pyran-2,2'-oxolane] is sourced from PubChem (CID 137402986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).