2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane]

C15H24O2 — CID 58419134

IUPAC2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane]
SMILESCC1CC2C3CC(C)CC3C3(OCCO3)C2C1
InChIInChI=1S/C15H24O2/c1-9-5-11-12-6-10(2)8-14(12)15(13(11)7-9)16-3-4-17-15/h9-14H,3-8H2,1-2H3
InChIKeyKJQAYBKERVEHNN-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.07
Rot. Bonds

About 2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane]

2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane] (PubChem CID 58419134) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane].

Molecular Properties

Compound Name2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane]
PubChem CID58419134
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane]
SMILESCC1CC2C3CC(C)CC3C3(OCCO3)C2C1
InChIInChI=1S/C15H24O2/c1-9-5-11-12-6-10(2)8-14(12)15(13(11)7-9)16-3-4-17-15/h9-14H,3-8H2,1-2H3
InChIKeyKJQAYBKERVEHNN-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane]?
The IUPAC name of 2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane] (CID 58419134) is 2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane].
What is the SMILES notation for 2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane]?
The canonical SMILES for 2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane] is CC1CC2C3CC(C)CC3C3(OCCO3)C2C1.
What is the InChIKey of 2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane]?
The InChIKey is KJQAYBKERVEHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-9-5-11-12-6-10(2)8-14(12)15(13(11)7-9)16-3-4-17-15/h9-14H,3-8H2,1-2H3.
What are the key properties of 2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane]?
2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane] has a molecular weight of 236.35 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane] is sourced from PubChem (CID 58419134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).