1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol

C12H22O2 — CID 59391734

IUPAC1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol
SMILESCC1(C)C(C)(C)C12CCC(O)C(O)C2
InChIInChI=1S/C12H22O2/c1-10(2)11(3,4)12(10)6-5-8(13)9(14)7-12/h8-9,13-14H,5-7H2,1-4H3
InChIKeyQGNWPDINDQTKGG-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.94
Rot. Bonds

About 1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol

1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol (PubChem CID 59391734) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol
PubChem CID59391734
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol
SMILESCC1(C)C(C)(C)C12CCC(O)C(O)C2
InChIInChI=1S/C12H22O2/c1-10(2)11(3,4)12(10)6-5-8(13)9(14)7-12/h8-9,13-14H,5-7H2,1-4H3
InChIKeyQGNWPDINDQTKGG-UHFFFAOYSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol?
The IUPAC name of 1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol (CID 59391734) is 1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol.
What is the SMILES notation for 1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol?
The canonical SMILES for 1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol is CC1(C)C(C)(C)C12CCC(O)C(O)C2.
What is the InChIKey of 1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol?
The InChIKey is QGNWPDINDQTKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)11(3,4)12(10)6-5-8(13)9(14)7-12/h8-9,13-14H,5-7H2,1-4H3.
What are the key properties of 1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol?
1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol has a molecular weight of 198.31 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetramethylspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 59391734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).