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

C12H24O3 — CID 143659959

IUPAC1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol
SMILESCC1CCC(C(C)C)C(OC(C)(O)O)C1
InChIInChI=1S/C12H24O3/c1-8(2)10-6-5-9(3)7-11(10)15-12(4,13)14/h8-11,13-14H,5-7H2,1-4H3
InChIKeyGQSZOGGCRCNGRT-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.12
Rot. Bonds3

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

1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol (PubChem CID 143659959) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol.

Molecular Properties

Compound Name1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol
PubChem CID143659959
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol
SMILESCC1CCC(C(C)C)C(OC(C)(O)O)C1
InChIInChI=1S/C12H24O3/c1-8(2)10-6-5-9(3)7-11(10)15-12(4,13)14/h8-11,13-14H,5-7H2,1-4H3
InChIKeyGQSZOGGCRCNGRT-UHFFFAOYSA-N
XLogP2.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
CID 137488514
1,1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]ethoxysilane
CID 173404047
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxy-2-methylbutanoate
CID 10999687
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dimethylpropanoate
CID 12738090
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyboronic acid
CID 99738331
(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate
CID 62822105
2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane
CID 21312410
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromo-2-methylpropanoate
CID 172643840
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol?
The IUPAC name of 1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol (CID 143659959) is 1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol.
What is the SMILES notation for 1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol?
The canonical SMILES for 1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol is CC1CCC(C(C)C)C(OC(C)(O)O)C1.
What is the InChIKey of 1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol?
The InChIKey is GQSZOGGCRCNGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-8(2)10-6-5-9(3)7-11(10)15-12(4,13)14/h8-11,13-14H,5-7H2,1-4H3.
What are the key properties of 1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol?
1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol has a molecular weight of 216.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol is sourced from PubChem (CID 143659959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).