1-methoxy-2,2-dimethylpentane

C8H18O — CID 57120820

IUPAC1-methoxy-2,2-dimethylpentane
SMILESCCCC(C)(C)COC
InChIInChI=1S/C8H18O/c1-5-6-8(2,3)7-9-4/h5-7H2,1-4H3
InChIKeyWOQRXKDKOLGGER-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.46
Rot. Bonds4

About 1-methoxy-2,2-dimethylpentane

1-methoxy-2,2-dimethylpentane (PubChem CID 57120820) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 1-methoxy-2,2-dimethylpentane.

Molecular Properties

Compound Name1-methoxy-2,2-dimethylpentane
PubChem CID57120820
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name1-methoxy-2,2-dimethylpentane
SMILESCCCC(C)(C)COC
InChIInChI=1S/C8H18O/c1-5-6-8(2,3)7-9-4/h5-7H2,1-4H3
InChIKeyWOQRXKDKOLGGER-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethoxy-1-methoxy-2,2-dimethylbutane
CID 102175651
5-chloro-1-methoxy-2,2-dimethylpentane
CID 165443489
2,2-dimethylpentyl cyanate
CID 87579409
2-(methoxymethyl)-2-methylpentan-1-amine
CID 103984443
4-methoxy-4-(methoxymethyl)heptane
CID 174395749
2,2-dichloro-1,3-dimethoxypropane
CID 19985363
3,3-dimethylhexane
CID 11233
2-(methoxymethyl)-2-methylpentanenitrile
CID 139652436
2,2-dimethyl-1-(2-methylpropoxy)pentane
CID 88914355
4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid
CID 145016284
2-(methoxymethyl)-2-methylpentanoic acid
CID 23056513
N,N-diethyl-3-methoxy-2,2-dimethylpropan-1-amine
CID 139968907

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2-dimethylpentane?
The IUPAC name of 1-methoxy-2,2-dimethylpentane (CID 57120820) is 1-methoxy-2,2-dimethylpentane.
What is the SMILES notation for 1-methoxy-2,2-dimethylpentane?
The canonical SMILES for 1-methoxy-2,2-dimethylpentane is CCCC(C)(C)COC.
What is the InChIKey of 1-methoxy-2,2-dimethylpentane?
The InChIKey is WOQRXKDKOLGGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-5-6-8(2,3)7-9-4/h5-7H2,1-4H3.
What are the key properties of 1-methoxy-2,2-dimethylpentane?
1-methoxy-2,2-dimethylpentane has a molecular weight of 130.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2-dimethylpentane is sourced from PubChem (CID 57120820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).