ethane;2-methoxyhexane

C9H22O — CID 91199174

IUPACethane;2-methoxyhexane
SMILESCC.CCCCC(C)OC
InChIInChI=1S/C7H16O.C2H6/c1-4-5-6-7(2)8-3;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyNMPTZKRWLGXQCC-UHFFFAOYSA-N
MW146.27 g/mol
LogP3.24
Rot. Bonds4

About ethane;2-methoxyhexane

ethane;2-methoxyhexane (PubChem CID 91199174) has the molecular formula C9H22O and a molecular weight of 146.27 g/mol. Its IUPAC name is ethane;2-methoxyhexane.

Molecular Properties

Compound Nameethane;2-methoxyhexane
PubChem CID91199174
Molecular FormulaC9H22O
Molecular Weight146.27 g/mol
Exact Mass146.17
IUPAC Nameethane;2-methoxyhexane
SMILESCC.CCCCC(C)OC
InChIInChI=1S/C7H16O.C2H6/c1-4-5-6-7(2)8-3;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyNMPTZKRWLGXQCC-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91807303
2-methoxy-6,10-dimethyltridecane
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4-methoxy-N-pentylpentan-1-amine
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(Z)-12-methoxytridec-5-ene
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(Z)-14-methoxypentadec-7-ene
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2-butoxyhexane;ethane
CID 144590910
1-methoxypentane;2-methoxypentane
CID 158569369
2-methoxyheptadecan-5-amine
CID 105138558
hexan-2-yl acetate;3-methoxybutyl acetate
CID 161348178
2-(1-methoxyethoxy)dodecane
CID 121368896
8-methoxynonan-3-ol
CID 140998506

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxyhexane?
The IUPAC name of ethane;2-methoxyhexane (CID 91199174) is ethane;2-methoxyhexane.
What is the SMILES notation for ethane;2-methoxyhexane?
The canonical SMILES for ethane;2-methoxyhexane is CC.CCCCC(C)OC.
What is the InChIKey of ethane;2-methoxyhexane?
The InChIKey is NMPTZKRWLGXQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C2H6/c1-4-5-6-7(2)8-3;1-2/h7H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methoxyhexane?
ethane;2-methoxyhexane has a molecular weight of 146.27 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxyhexane is sourced from PubChem (CID 91199174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).