1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol

C12H24O2 — CID 67111388

IUPAC1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
SMILESCC1CCC(C(C)C)C(C(O)CO)C1
InChIInChI=1S/C12H24O2/c1-8(2)10-5-4-9(3)6-11(10)12(14)7-13/h8-14H,4-7H2,1-3H3
InChIKeyGQFBPFDWJOKNIK-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.05
Rot. Bonds3

About 1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol

1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol (PubChem CID 67111388) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
PubChem CID67111388
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
SMILESCC1CCC(C(C)C)C(C(O)CO)C1
InChIInChI=1S/C12H24O2/c1-8(2)10-5-4-9(3)6-11(10)12(14)7-13/h8-14H,4-7H2,1-3H3
InChIKeyGQFBPFDWJOKNIK-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
[2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)ethyl] ethaneperoxoate
CID 87308429
(E,1S)-3-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)but-2-ene-1,4-diol
CID 101174952
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 14166067
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
2,6-bis(5-methyl-2-propan-2-ylcyclohexyl)heptan-4-one
CID 21245671
(E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol
CID 15984657
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
4-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate
CID 22599016
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol?
The IUPAC name of 1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol (CID 67111388) is 1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol.
What is the SMILES notation for 1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol?
The canonical SMILES for 1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol is CC1CCC(C(C)C)C(C(O)CO)C1.
What is the InChIKey of 1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol?
The InChIKey is GQFBPFDWJOKNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-8(2)10-5-4-9(3)6-11(10)12(14)7-13/h8-14H,4-7H2,1-3H3.
What are the key properties of 1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol?
1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol has a molecular weight of 200.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol is sourced from PubChem (CID 67111388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).