1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane

C16H36O3 — CID 143819312

IUPAC1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane
SMILESCC.COC1CCC(C)CC1.COCC(C)COC
InChIInChI=1S/C8H16O.C6H14O2.C2H6/c1-7-3-5-8(9-2)6-4-7;1-6(4-7-2)5-8-3;1-2/h7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;1-2H3
InChIKeyRVDYTHHWCXMNKV-UHFFFAOYSA-N
MW276.46 g/mol
LogP4.15
Rot. Bonds5

About 1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane

1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane (PubChem CID 143819312) has the molecular formula C16H36O3 and a molecular weight of 276.46 g/mol. Its IUPAC name is 1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane.

Molecular Properties

Compound Name1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane
PubChem CID143819312
Molecular FormulaC16H36O3
Molecular Weight276.46 g/mol
Exact Mass276.27
IUPAC Name1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane
SMILESCC.COC1CCC(C)CC1.COCC(C)COC
InChIInChI=1S/C8H16O.C6H14O2.C2H6/c1-7-3-5-8(9-2)6-4-7;1-6(4-7-2)5-8-3;1-2/h7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;1-2H3
InChIKeyRVDYTHHWCXMNKV-UHFFFAOYSA-N
XLogP4.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol
CID 105102620
ethane;1-methoxy-4-propan-2-ylcyclohexane
CID 178120184
N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine
CID 64760108
2-aminoacetic acid;1-methoxy-4-methylcyclohexane
CID 170636646
1-methoxy-4-(4-methylcyclohexyl)cycloheptane
CID 130462304
propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 144913031
ethane;1-ethoxy-4-methylcyclohexane
CID 145107105
(2S)-1-butoxy-3-methoxy-2-methylpropane
CID 90383590
N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine
CID 104530610
[4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
CID 123136286
ethane-1,2-diol;methoxycyclopropane
CID 174681664
3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine
CID 22970189

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane?
The IUPAC name of 1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane (CID 143819312) is 1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane.
What is the SMILES notation for 1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane?
The canonical SMILES for 1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane is CC.COC1CCC(C)CC1.COCC(C)COC.
What is the InChIKey of 1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane?
The InChIKey is RVDYTHHWCXMNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C6H14O2.C2H6/c1-7-3-5-8(9-2)6-4-7;1-6(4-7-2)5-8-3;1-2/h7-8H,3-6H2,1-2H3;6H,4-5H2,1-3H3;1-2H3.
What are the key properties of 1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane?
1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane has a molecular weight of 276.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane is sourced from PubChem (CID 143819312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).