2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol

C9H18O2 — CID 10725629

IUPAC2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol
SMILESCC1(C)[C@H](CO)C[C@@H]1CCO
InChIInChI=1S/C9H18O2/c1-9(2)7(3-4-10)5-8(9)6-11/h7-8,10-11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyHDAYUBJKGHNFPD-YUMQZZPRSA-N
MW158.24 g/mol
LogP1.02
Rot. Bonds3

About 2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol

2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol (PubChem CID 10725629) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol.

Molecular Properties

Compound Name2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol
PubChem CID10725629
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol
SMILESCC1(C)[C@H](CO)C[C@@H]1CCO
InChIInChI=1S/C9H18O2/c1-9(2)7(3-4-10)5-8(9)6-11/h7-8,10-11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyHDAYUBJKGHNFPD-YUMQZZPRSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,3S)-2,2-dimethyl-3-(piperidin-1-ylmethyl)cyclobutyl]ethanol
CID 24857509
(2,2-dimethyl-3-propan-2-ylcyclobutyl)methanol
CID 175095277
2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
CID 89342976
cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 45084905
2-(2-ethyl-2-methylcyclopropyl)ethanol
CID 72514759
2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol
CID 72969601
3-(2-hydroxyethyl)-1,2-dimethylbicyclo[3.1.0]hexan-2-ol
CID 130145039
2,4-diethyl-1,1-dimethylcyclobutane;methane
CID 156895183
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol
CID 117017383
2-[3-(3-hydroxy-2-oxopropyl)-2,2-dimethylcyclobutyl]acetaldehyde
CID 102121149
(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
CID 58944578

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol?
The IUPAC name of 2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol (CID 10725629) is 2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol.
What is the SMILES notation for 2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol?
The canonical SMILES for 2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol is CC1(C)[C@H](CO)C[C@@H]1CCO.
What is the InChIKey of 2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol?
The InChIKey is HDAYUBJKGHNFPD-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H18O2/c1-9(2)7(3-4-10)5-8(9)6-11/h7-8,10-11H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of 2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol?
2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol has a molecular weight of 158.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol is sourced from PubChem (CID 10725629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).