4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane

C15H22O2 — CID 144634399

IUPAC4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane
SMILESCC.Cc1ccc(C)c2c1OC1(CCCC1)O2
InChIInChI=1S/C13H16O2.C2H6/c1-9-5-6-10(2)12-11(9)14-13(15-12)7-3-4-8-13;1-2/h5-6H,3-4,7-8H2,1-2H3;1-2H3
InChIKeyDWKSPBGTDDPZMY-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.37
Rot. Bonds

About 4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane

4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane (PubChem CID 144634399) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane.

Molecular Properties

Compound Name4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane
PubChem CID144634399
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane
SMILESCC.Cc1ccc(C)c2c1OC1(CCCC1)O2
InChIInChI=1S/C13H16O2.C2H6/c1-9-5-6-10(2)12-11(9)14-13(15-12)7-3-4-8-13;1-2/h5-6H,3-4,7-8H2,1-2H3;1-2H3
InChIKeyDWKSPBGTDDPZMY-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane?
The IUPAC name of 4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane (CID 144634399) is 4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane.
What is the SMILES notation for 4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane?
The canonical SMILES for 4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane is CC.Cc1ccc(C)c2c1OC1(CCCC1)O2.
What is the InChIKey of 4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane?
The InChIKey is DWKSPBGTDDPZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2.C2H6/c1-9-5-6-10(2)12-11(9)14-13(15-12)7-3-4-8-13;1-2/h5-6H,3-4,7-8H2,1-2H3;1-2H3.
What are the key properties of 4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane?
4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane has a molecular weight of 234.34 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylspiro[1,3-benzodioxole-2,1'-cyclopentane];ethane is sourced from PubChem (CID 144634399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).