1-tert-butyl-2-methoxycyclobutan-1-ol

C9H18O2 — CID 172542589

IUPAC1-tert-butyl-2-methoxycyclobutan-1-ol
SMILESCOC1CCC1(O)C(C)(C)C
InChIInChI=1S/C9H18O2/c1-8(2,3)9(10)6-5-7(9)11-4/h7,10H,5-6H2,1-4H3
InChIKeyIWTQIDYTFPVWHL-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds1

About 1-tert-butyl-2-methoxycyclobutan-1-ol

1-tert-butyl-2-methoxycyclobutan-1-ol (PubChem CID 172542589) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-tert-butyl-2-methoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-tert-butyl-2-methoxycyclobutan-1-ol
PubChem CID172542589
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-tert-butyl-2-methoxycyclobutan-1-ol
SMILESCOC1CCC1(O)C(C)(C)C
InChIInChI=1S/C9H18O2/c1-8(2,3)9(10)6-5-7(9)11-4/h7,10H,5-6H2,1-4H3
InChIKeyIWTQIDYTFPVWHL-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1,1-dimethylcyclobutane
CID 58806257
1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol
CID 86129641
ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate
CID 106874296
1,2-ditert-butyl-4-methylcyclohexan-1-ol
CID 147410667
(1R,2R,4R)-4-tert-butyl-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
CID 15759025
trans-(1S,2S)-1-tert-butylcyclohexane-1,2-diol
CID 11969728
2-(2-hydroxyoxetan-2-yl)-3-methoxyoxolan-2-ol
CID 20515086
1-hydroxy-2-methoxycyclohexane-1-carbonitrile
CID 86013365
4-tert-butyl-2-methoxy-1-phenylcyclohexan-1-ol
CID 53463289
1-methoxy-3-(trifluoromethyl)spiro[3.3]heptan-3-ol
CID 130697809
2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol
CID 106874731
2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 106873665

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methoxycyclobutan-1-ol?
The IUPAC name of 1-tert-butyl-2-methoxycyclobutan-1-ol (CID 172542589) is 1-tert-butyl-2-methoxycyclobutan-1-ol.
What is the SMILES notation for 1-tert-butyl-2-methoxycyclobutan-1-ol?
The canonical SMILES for 1-tert-butyl-2-methoxycyclobutan-1-ol is COC1CCC1(O)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methoxycyclobutan-1-ol?
The InChIKey is IWTQIDYTFPVWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(2,3)9(10)6-5-7(9)11-4/h7,10H,5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-2-methoxycyclobutan-1-ol?
1-tert-butyl-2-methoxycyclobutan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methoxycyclobutan-1-ol is sourced from PubChem (CID 172542589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).