1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane

C14H32O — CID 158785130

IUPAC1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.COCCC(C)(C)C
InChIInChI=1S/C7H16O.C7H16/c1-7(2,3)5-6-8-4;1-6(2)7(3,4)5/h5-6H2,1-4H3;6H,1-5H3
InChIKeyIRORSXMRPBRZLO-UHFFFAOYSA-N
MW216.41 g/mol
LogP4.76
Rot. Bonds2

About 1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane

1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane (PubChem CID 158785130) has the molecular formula C14H32O and a molecular weight of 216.41 g/mol. Its IUPAC name is 1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane.

Molecular Properties

Compound Name1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
PubChem CID158785130
Molecular FormulaC14H32O
Molecular Weight216.41 g/mol
Exact Mass216.25
IUPAC Name1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.COCCC(C)(C)C
InChIInChI=1S/C7H16O.C7H16/c1-7(2,3)5-6-8-4;1-6(2)7(3,4)5/h5-6H2,1-4H3;6H,1-5H3
InChIKeyIRORSXMRPBRZLO-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
3,3-dimethylbutan-1-ol;1-methoxy-3,3-dimethylbutane;2,5,5-trimethylhexan-3-ol
CID 158069873
1-methoxy-3,3,4,5-tetramethylhexane
CID 123458984
1,2-dimethoxy-5,5-dimethylhexane
CID 154608131
N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine
CID 115891442
1,3-dimethoxypropane;2,3,3,5-tetramethylhexane
CID 175249202
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
N-ethyl-2-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83159390
2-(2-methoxyethyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83150406
2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane
CID 160755411
4-methoxy-4-(2-methoxyethyl)-2,2,6,6-tetramethylheptane
CID 87217040
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane?
The IUPAC name of 1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane (CID 158785130) is 1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane.
What is the SMILES notation for 1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane?
The canonical SMILES for 1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane is CC(C)C(C)(C)C.COCCC(C)(C)C.
What is the InChIKey of 1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane?
The InChIKey is IRORSXMRPBRZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C7H16/c1-7(2,3)5-6-8-4;1-6(2)7(3,4)5/h5-6H2,1-4H3;6H,1-5H3.
What are the key properties of 1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane?
1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane has a molecular weight of 216.41 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane is sourced from PubChem (CID 158785130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).