2-methylspiro[2.5]octane-8,8-diol

C9H16O2 — CID 91171330

IUPAC2-methylspiro[2.5]octane-8,8-diol
SMILESCC1CC12CCCCC2(O)O
InChIInChI=1S/C9H16O2/c1-7-6-8(7)4-2-3-5-9(8,10)11/h7,10-11H,2-6H2,1H3
InChIKeyJQHAHKUCHCPEFH-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.27
Rot. Bonds

About 2-methylspiro[2.5]octane-8,8-diol

2-methylspiro[2.5]octane-8,8-diol (PubChem CID 91171330) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methylspiro[2.5]octane-8,8-diol.

Molecular Properties

Compound Name2-methylspiro[2.5]octane-8,8-diol
PubChem CID91171330
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methylspiro[2.5]octane-8,8-diol
SMILESCC1CC12CCCCC2(O)O
InChIInChI=1S/C9H16O2/c1-7-6-8(7)4-2-3-5-9(8,10)11/h7,10-11H,2-6H2,1H3
InChIKeyJQHAHKUCHCPEFH-UHFFFAOYSA-N
XLogP1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-1-cyclopropylethan-1-ol
CID 43810244
Dimethylcyclohexandiol
CID 19096530
Bicyclo[2.2.1]heptan-2-ol, 2,7,7-trimethyl, exo
CID 6431626
2-Tert-butyl-1-methylcyclohexan-1-ol
CID 530356
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114
cis-(1S,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 58431829
1-Methoxyspiro[2.5]octan-1-ol
CID 13086992
2-Methoxy-1-methylspiro[2.5]octan-2-ol
CID 13086994
9-Dimethyl-2-cyclopropyl-2-decanol
CID 123608266
1-Methyl-2-trimethylsilyloxyspiro[2.5]octan-2-ol
CID 134987430
trans-(2R,3R)-2,3-ditert-butylcyclopropane-1,1-diol
CID 135060296
2-Cyclohexyl-1-methylcyclopropan-1-ol
CID 164687387

Frequently Asked Questions

What is the IUPAC name of 2-methylspiro[2.5]octane-8,8-diol?
The IUPAC name of 2-methylspiro[2.5]octane-8,8-diol (CID 91171330) is 2-methylspiro[2.5]octane-8,8-diol.
What is the SMILES notation for 2-methylspiro[2.5]octane-8,8-diol?
The canonical SMILES for 2-methylspiro[2.5]octane-8,8-diol is CC1CC12CCCCC2(O)O.
What is the InChIKey of 2-methylspiro[2.5]octane-8,8-diol?
The InChIKey is JQHAHKUCHCPEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-6-8(7)4-2-3-5-9(8,10)11/h7,10-11H,2-6H2,1H3.
What are the key properties of 2-methylspiro[2.5]octane-8,8-diol?
2-methylspiro[2.5]octane-8,8-diol has a molecular weight of 156.22 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylspiro[2.5]octane-8,8-diol is sourced from PubChem (CID 91171330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).