1-[(1R)-1-ethoxyethoxy]-2-methylpropane

C8H18O2 — CID 40566537

IUPAC1-[(1R)-1-ethoxyethoxy]-2-methylpropane
SMILESCCO[C@@H](C)OCC(C)C
InChIInChI=1S/C8H18O2/c1-5-9-8(4)10-6-7(2)3/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyYEKSEJHZJGHKBN-MRVPVSSYSA-N
MW146.23 g/mol
LogP2.04
Rot. Bonds5

About 1-[(1R)-1-ethoxyethoxy]-2-methylpropane

1-[(1R)-1-ethoxyethoxy]-2-methylpropane (PubChem CID 40566537) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-[(1R)-1-ethoxyethoxy]-2-methylpropane.

Molecular Properties

Compound Name1-[(1R)-1-ethoxyethoxy]-2-methylpropane
PubChem CID40566537
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name1-[(1R)-1-ethoxyethoxy]-2-methylpropane
SMILESCCO[C@@H](C)OCC(C)C
InChIInChI=1S/C8H18O2/c1-5-9-8(4)10-6-7(2)3/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyYEKSEJHZJGHKBN-MRVPVSSYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
cyclopropane;1,1-diethoxyethane
CID 67020569
1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane
CID 121420083
2-(1-ethoxyethoxy)-1-methoxyethanol
CID 87072895
carbonic acid;1,1-diethoxyethane
CID 87827362
9-(1-ethoxyethoxymethyl)nonadecane
CID 88960911
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
1,1-diethoxyethane;1,3,5-trimethylbenzene
CID 66684886

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-ethoxyethoxy]-2-methylpropane?
The IUPAC name of 1-[(1R)-1-ethoxyethoxy]-2-methylpropane (CID 40566537) is 1-[(1R)-1-ethoxyethoxy]-2-methylpropane.
What is the SMILES notation for 1-[(1R)-1-ethoxyethoxy]-2-methylpropane?
The canonical SMILES for 1-[(1R)-1-ethoxyethoxy]-2-methylpropane is CCO[C@@H](C)OCC(C)C.
What is the InChIKey of 1-[(1R)-1-ethoxyethoxy]-2-methylpropane?
The InChIKey is YEKSEJHZJGHKBN-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18O2/c1-5-9-8(4)10-6-7(2)3/h7-8H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of 1-[(1R)-1-ethoxyethoxy]-2-methylpropane?
1-[(1R)-1-ethoxyethoxy]-2-methylpropane has a molecular weight of 146.23 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-ethoxyethoxy]-2-methylpropane is sourced from PubChem (CID 40566537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).