2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene]

C12H18O3 — CID 11031099

IUPAC2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene]
SMILESCC1CCC2=C(CCC3(C2)OCCO3)O1
InChIInChI=1S/C12H18O3/c1-9-2-3-10-8-12(13-6-7-14-12)5-4-11(10)15-9/h9H,2-8H2,1H3
InChIKeyVNAXCRDBHQHRGS-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.37
Rot. Bonds

About 2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene]

2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene] (PubChem CID 11031099) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene].

Molecular Properties

Compound Name2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene]
PubChem CID11031099
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene]
SMILESCC1CCC2=C(CCC3(C2)OCCO3)O1
InChIInChI=1S/C12H18O3/c1-9-2-3-10-8-12(13-6-7-14-12)5-4-11(10)15-9/h9H,2-8H2,1H3
InChIKeyVNAXCRDBHQHRGS-UHFFFAOYSA-N
XLogP2.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-Ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 123780950
6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene]
CID 134580094
7-Methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 177018399

Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene]?
The IUPAC name of 2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene] (CID 11031099) is 2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene].
What is the SMILES notation for 2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene]?
The canonical SMILES for 2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene] is CC1CCC2=C(CCC3(C2)OCCO3)O1.
What is the InChIKey of 2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene]?
The InChIKey is VNAXCRDBHQHRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9-2-3-10-8-12(13-6-7-14-12)5-4-11(10)15-9/h9H,2-8H2,1H3.
What are the key properties of 2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene]?
2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene] has a molecular weight of 210.27 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene] is sourced from PubChem (CID 11031099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).