ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane

C17H38O — CID 54153860

IUPACethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane
SMILESCC.CCC(C)(C)C1CCCCC1.COC(C)C
InChIInChI=1S/C11H22.C4H10O.C2H6/c1-4-11(2,3)10-8-6-5-7-9-10;1-4(2)5-3;1-2/h10H,4-9H2,1-3H3;4H,1-3H3;1-2H3
InChIKeyOJQXHZDNIWHXLR-UHFFFAOYSA-N
MW258.49 g/mol
LogP6.07
Rot. Bonds3

About ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane

ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane (PubChem CID 54153860) has the molecular formula C17H38O and a molecular weight of 258.49 g/mol. Its IUPAC name is ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane.

Molecular Properties

Compound Nameethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane
PubChem CID54153860
Molecular FormulaC17H38O
Molecular Weight258.49 g/mol
Exact Mass258.29
IUPAC Nameethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane
SMILESCC.CCC(C)(C)C1CCCCC1.COC(C)C
InChIInChI=1S/C11H22.C4H10O.C2H6/c1-4-11(2,3)10-8-6-5-7-9-10;1-4(2)5-3;1-2/h10H,4-9H2,1-3H3;4H,1-3H3;1-2H3
InChIKeyOJQXHZDNIWHXLR-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.49
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine
CID 134369025
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113481634
N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 81396402
4-cycloheptyl-4-methylpentan-2-ol
CID 82923694
(3,3-dicyclohexyl-2-methylpentan-2-yl)oxyphosphane
CID 68894147
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
CID 100913906
CID 100913906
2,3,4-trimethylpentan-3-ylcyclohexane
CID 140706198
2-cyclohexyl-2-methylpropan-1-amine
CID 19776368
3-methylpentan-3-ylcycloundecane
CID 123467319
2-cycloheptyl-2-methylpropan-1-amine
CID 82934909
1-(1-iodoethoxy)-4-(2-methylbutan-2-yl)cyclohexane
CID 66790356

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane?
The IUPAC name of ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane (CID 54153860) is ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane.
What is the SMILES notation for ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane?
The canonical SMILES for ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane is CC.CCC(C)(C)C1CCCCC1.COC(C)C.
What is the InChIKey of ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane?
The InChIKey is OJQXHZDNIWHXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C4H10O.C2H6/c1-4-11(2,3)10-8-6-5-7-9-10;1-4(2)5-3;1-2/h10H,4-9H2,1-3H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane?
ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane has a molecular weight of 258.49 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxypropane;2-methylbutan-2-ylcyclohexane is sourced from PubChem (CID 54153860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).