ethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol

C15H32O2 — CID 142994431

IUPACethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol
SMILESCC.CC1CCCCC1C(C)OC(C)(C)CO
InChIInChI=1S/C13H26O2.C2H6/c1-10-7-5-6-8-12(10)11(2)15-13(3,4)9-14;1-2/h10-12,14H,5-9H2,1-4H3;1-2H3
InChIKeyUBQUSDBWPHTVNP-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.01
Rot. Bonds4

About ethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol

ethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol (PubChem CID 142994431) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is ethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol.

Molecular Properties

Compound Nameethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol
PubChem CID142994431
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Nameethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol
SMILESCC.CC1CCCCC1C(C)OC(C)(C)CO
InChIInChI=1S/C13H26O2.C2H6/c1-10-7-5-6-8-12(10)11(2)15-13(3,4)9-14;1-2/h10-12,14H,5-9H2,1-4H3;1-2H3
InChIKeyUBQUSDBWPHTVNP-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylcyclohexyl)ethane-1,2-diol
CID 57009721
1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane
CID 165489178
(2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol
CID 129109393
N-methyl-1-[(2S)-2-methylcyclohexyl]ethanamine
CID 89083214
1-methyl-2-(4-methylhexan-3-yl)cyclohexane
CID 91437485
N,4,4-trimethyl-1-(2-methylcyclopentyl)pentan-1-amine
CID 107188477
1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol
CID 69422338
3-amino-2-(2-methylcyclohexyl)propan-1-ol
CID 83977151
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785
ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate
CID 10797593
2-cyclopentyl-1-(2-methylcyclopentyl)ethanol
CID 107192189

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol?
The IUPAC name of ethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol (CID 142994431) is ethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol.
What is the SMILES notation for ethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol?
The canonical SMILES for ethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol is CC.CC1CCCCC1C(C)OC(C)(C)CO.
What is the InChIKey of ethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol?
The InChIKey is UBQUSDBWPHTVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2.C2H6/c1-10-7-5-6-8-12(10)11(2)15-13(3,4)9-14;1-2/h10-12,14H,5-9H2,1-4H3;1-2H3.
What are the key properties of ethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol?
ethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol has a molecular weight of 244.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol is sourced from PubChem (CID 142994431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).