cis-Bicyclo[3.3.0]octane-3,7-dione-3,7-bis(2',2'-dimethylpropylidene) Diketal

C18H30O4 — CID 13247524

IUPAC—
SMILESCC1(C)COC2(CC3CC4(CC3C2)OCC(C)(C)CO4)OC1
InChIInChI=1S/C18H30O4/c1-15(2)9-19-17(20-10-15)5-13-7-18(8-14(13)6-17)21-11-16(3,4)12-22-18/h13-14H,5-12H2,1-4H3
InChIKeyBAOVDWPXLPKLCE-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.35
Rot. Bonds

About cis-Bicyclo[3.3.0]octane-3,7-dione-3,7-bis(2',2'-dimethylpropylidene) Diketal

cis-Bicyclo[3.3.0]octane-3,7-dione-3,7-bis(2',2'-dimethylpropylidene) Diketal (PubChem CID 13247524) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol.

Molecular Properties

Compound Namecis-Bicyclo[3.3.0]octane-3,7-dione-3,7-bis(2',2'-dimethylpropylidene) Diketal
PubChem CID13247524
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name—
SMILESCC1(C)COC2(CC3CC4(CC3C2)OCC(C)(C)CO4)OC1
InChIInChI=1S/C18H30O4/c1-15(2)9-19-17(20-10-15)5-13-7-18(8-14(13)6-17)21-11-16(3,4)12-22-18/h13-14H,5-12H2,1-4H3
InChIKeyBAOVDWPXLPKLCE-UHFFFAOYSA-N
XLogP3.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-Bicyclo[3.3.0]octane-3,7-dione-3,7-bis(2',2'-dimethylpropylidene) Diketal?
The IUPAC name of cis-Bicyclo[3.3.0]octane-3,7-dione-3,7-bis(2',2'-dimethylpropylidene) Diketal (CID 13247524) is not available.
What is the SMILES notation for cis-Bicyclo[3.3.0]octane-3,7-dione-3,7-bis(2',2'-dimethylpropylidene) Diketal?
The canonical SMILES for cis-Bicyclo[3.3.0]octane-3,7-dione-3,7-bis(2',2'-dimethylpropylidene) Diketal is CC1(C)COC2(CC3CC4(CC3C2)OCC(C)(C)CO4)OC1.
What is the InChIKey of cis-Bicyclo[3.3.0]octane-3,7-dione-3,7-bis(2',2'-dimethylpropylidene) Diketal?
The InChIKey is BAOVDWPXLPKLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-15(2)9-19-17(20-10-15)5-13-7-18(8-14(13)6-17)21-11-16(3,4)12-22-18/h13-14H,5-12H2,1-4H3.
What are the key properties of cis-Bicyclo[3.3.0]octane-3,7-dione-3,7-bis(2',2'-dimethylpropylidene) Diketal?
cis-Bicyclo[3.3.0]octane-3,7-dione-3,7-bis(2',2'-dimethylpropylidene) Diketal has a molecular weight of 310.43 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-Bicyclo[3.3.0]octane-3,7-dione-3,7-bis(2',2'-dimethylpropylidene) Diketal is sourced from PubChem (CID 13247524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).