8-tert-butylspiro[3.4]octan-8-ol

C12H22O — CID 130933727

IUPAC8-tert-butylspiro[3.4]octan-8-ol
SMILESCC(C)(C)C1(O)CCCC12CCC2
InChIInChI=1S/C12H22O/c1-10(2,3)12(13)9-5-8-11(12)6-4-7-11/h13H,4-9H2,1-3H3
InChIKeyUQMCBJVNBUDHJJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.12
Rot. Bonds

About 8-tert-butylspiro[3.4]octan-8-ol

8-tert-butylspiro[3.4]octan-8-ol (PubChem CID 130933727) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 8-tert-butylspiro[3.4]octan-8-ol.

Molecular Properties

Compound Name8-tert-butylspiro[3.4]octan-8-ol
PubChem CID130933727
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name8-tert-butylspiro[3.4]octan-8-ol
SMILESCC(C)(C)C1(O)CCCC12CCC2
InChIInChI=1S/C12H22O/c1-10(2,3)12(13)9-5-8-11(12)6-4-7-11/h13H,4-9H2,1-3H3
InChIKeyUQMCBJVNBUDHJJ-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 79862592
1-tert-butylcyclooctan-1-ol
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2-(2,2-difluoro-1-hydroxycyclopentyl)-2-methylpropanoic acid
CID 170909956
(5S)-5-methyldispiro[2.0.24.33]nonane
CID 171818951
(2R)-2-tert-butyl-2-(fluoromethyl)spiro[2.3]hexane
CID 174314849
1-(ethylaminomethyl)-2,3-dimethylcyclohexan-1-ol
CID 64755854
2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
CID 62772585
1-(1-tert-butylcyclobutyl)ethanone
CID 58530463
1-[(2R)-3,3-dimethylbutan-2-yl]cyclobutan-1-ol
CID 171752965
2,2-difluoro-1-(trifluoromethyl)cyclopentan-1-ol
CID 59440477
1-(1-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
CID 118667718
1-(ethylaminomethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 62773323

Frequently Asked Questions

What is the IUPAC name of 8-tert-butylspiro[3.4]octan-8-ol?
The IUPAC name of 8-tert-butylspiro[3.4]octan-8-ol (CID 130933727) is 8-tert-butylspiro[3.4]octan-8-ol.
What is the SMILES notation for 8-tert-butylspiro[3.4]octan-8-ol?
The canonical SMILES for 8-tert-butylspiro[3.4]octan-8-ol is CC(C)(C)C1(O)CCCC12CCC2.
What is the InChIKey of 8-tert-butylspiro[3.4]octan-8-ol?
The InChIKey is UQMCBJVNBUDHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10(2,3)12(13)9-5-8-11(12)6-4-7-11/h13H,4-9H2,1-3H3.
What are the key properties of 8-tert-butylspiro[3.4]octan-8-ol?
8-tert-butylspiro[3.4]octan-8-ol has a molecular weight of 182.31 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butylspiro[3.4]octan-8-ol is sourced from PubChem (CID 130933727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).