cis-(1S,2R)-1-ethylcyclobutane-1,2-diol

C6H12O2 — CID 102159302

IUPACcis-(1S,2R)-1-ethylcyclobutane-1,2-diol
SMILESCC[C@]1(O)CC[C@H]1O
InChIInChI=1S/C6H12O2/c1-2-6(8)4-3-5(6)7/h5,7-8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyUGAHNVIDTRHGNO-RITPCOANSA-N
MW116.16 g/mol
LogP0.28
Rot. Bonds1

About cis-(1S,2R)-1-ethylcyclobutane-1,2-diol

cis-(1S,2R)-1-ethylcyclobutane-1,2-diol (PubChem CID 102159302) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is cis-(1S,2R)-1-ethylcyclobutane-1,2-diol.

Molecular Properties

Compound Namecis-(1S,2R)-1-ethylcyclobutane-1,2-diol
PubChem CID102159302
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Namecis-(1S,2R)-1-ethylcyclobutane-1,2-diol
SMILESCC[C@]1(O)CC[C@H]1O
InChIInChI=1S/C6H12O2/c1-2-6(8)4-3-5(6)7/h5,7-8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyUGAHNVIDTRHGNO-RITPCOANSA-N
XLogP0.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
1-propylcyclodecane-1,2-diol
CID 173377333
trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol
CID 151135809
alumane;1,2-diethylcyclopentan-1-ol
CID 174746701
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413
2,2,3,3-tetramethylcyclopentan-1-ol
CID 20584587
4-ethyl-2,2,3,4-tetramethylcyclohexan-1-ol
CID 123306354
2-methyl-2-propylcyclobutan-1-ol
CID 89040523
2-(aminomethyl)-2-ethylcyclohexan-1-ol
CID 65395057
2-cyclohexyl-1-ethylcyclohexan-1-ol
CID 43809276
1-ethyl-2-(2-methylpropyl)cyclopentan-1-ol
CID 118116479
2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol
CID 143499185

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-ethylcyclobutane-1,2-diol?
The IUPAC name of cis-(1S,2R)-1-ethylcyclobutane-1,2-diol (CID 102159302) is cis-(1S,2R)-1-ethylcyclobutane-1,2-diol.
What is the SMILES notation for cis-(1S,2R)-1-ethylcyclobutane-1,2-diol?
The canonical SMILES for cis-(1S,2R)-1-ethylcyclobutane-1,2-diol is CC[C@]1(O)CC[C@H]1O.
What is the InChIKey of cis-(1S,2R)-1-ethylcyclobutane-1,2-diol?
The InChIKey is UGAHNVIDTRHGNO-RITPCOANSA-N. The full InChI is InChI=1S/C6H12O2/c1-2-6(8)4-3-5(6)7/h5,7-8H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of cis-(1S,2R)-1-ethylcyclobutane-1,2-diol?
cis-(1S,2R)-1-ethylcyclobutane-1,2-diol has a molecular weight of 116.16 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-ethylcyclobutane-1,2-diol is sourced from PubChem (CID 102159302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).