1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol

C11H22O4 — CID 18740050

IUPAC1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol
SMILESCC1(C)CC(C(O)CO)C(C(O)CO)C1
InChIInChI=1S/C11H22O4/c1-11(2)3-7(9(14)5-12)8(4-11)10(15)6-13/h7-10,12-15H,3-6H2,1-2H3
InChIKeyVBNGDAAJLFJCEE-UHFFFAOYSA-N
MW218.29 g/mol
LogP-0.25
Rot. Bonds4

About 1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol

1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol (PubChem CID 18740050) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol
PubChem CID18740050
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol
SMILESCC1(C)CC(C(O)CO)C(C(O)CO)C1
InChIInChI=1S/C11H22O4/c1-11(2)3-7(9(14)5-12)8(4-11)10(15)6-13/h7-10,12-15H,3-6H2,1-2H3
InChIKeyVBNGDAAJLFJCEE-UHFFFAOYSA-N
XLogP-0.25
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylcyclohexyl)ethane-1,2-diol
CID 57009721
(1R)-1-[(4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 6541365
(1S)-1-[(4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 688134
3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol
CID 123875963
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
CID 67111388
3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butan-1-ol
CID 79253848
(4,4-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)-ethoxymethanol
CID 123934904
(1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride
CID 11252380
1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 10750187
(1R)-1-[(1R,4S,6S,9S,10R,12S)-6-hydroxy-5,5,9-trimethyl-13-tetracyclo[10.2.2.01,10.04,9]hexadecanyl]ethane-1,2-diol
CID 155925534
(1R)-1-[(1R,4S,6R,9S,10R,12S)-6-hydroxy-5,5,9-trimethyl-13-tetracyclo[10.2.2.01,10.04,9]hexadecanyl]ethane-1,2-diol
CID 155924905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol?
The IUPAC name of 1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol (CID 18740050) is 1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol?
The canonical SMILES for 1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol is CC1(C)CC(C(O)CO)C(C(O)CO)C1.
What is the InChIKey of 1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol?
The InChIKey is VBNGDAAJLFJCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-11(2)3-7(9(14)5-12)8(4-11)10(15)6-13/h7-10,12-15H,3-6H2,1-2H3.
What are the key properties of 1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol?
1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol has a molecular weight of 218.29 g/mol, XLogP of -0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-dihydroxyethyl)-4,4-dimethylcyclopentyl]ethane-1,2-diol is sourced from PubChem (CID 18740050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).