methane;3-methoxyheptane;1-methoxy-2-methylhexane

C17H40O2 — CID 162176457

IUPACmethane;3-methoxyheptane;1-methoxy-2-methylhexane
SMILESC.CCCCC(C)COC.CCCCC(CC)OC
InChIInChI=1S/2C8H18O.CH4/c1-4-5-6-8(2)7-9-3;1-4-6-7-8(5-2)9-3;/h2*8H,4-7H2,1-3H3;1H4
InChIKeyZOLOYCQHKQUYTP-UHFFFAOYSA-N
MW276.50 g/mol
LogP5.70
Rot. Bonds10

About methane;3-methoxyheptane;1-methoxy-2-methylhexane

methane;3-methoxyheptane;1-methoxy-2-methylhexane (PubChem CID 162176457) has the molecular formula C17H40O2 and a molecular weight of 276.50 g/mol. Its IUPAC name is methane;3-methoxyheptane;1-methoxy-2-methylhexane.

Molecular Properties

Compound Namemethane;3-methoxyheptane;1-methoxy-2-methylhexane
PubChem CID162176457
Molecular FormulaC17H40O2
Molecular Weight276.50 g/mol
Exact Mass276.30
IUPAC Namemethane;3-methoxyheptane;1-methoxy-2-methylhexane
SMILESC.CCCCC(C)COC.CCCCC(CC)OC
InChIInChI=1S/2C8H18O.CH4/c1-4-5-6-8(2)7-9-3;1-4-6-7-8(5-2)9-3;/h2*8H,4-7H2,1-3H3;1H4
InChIKeyZOLOYCQHKQUYTP-UHFFFAOYSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.50
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 160866312
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CID 91752253
1-methoxy-2,22-dimethyltetracosane
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(7R)-7-methoxy-2-methylundecane
CID 118890177
(5S)-5-methoxyundecane
CID 118889956
methane;1-methoxy-2-methylbutane
CID 159281556
1-methoxy-2,10,24-trimethylheptacosane
CID 86172880
methane;1-(2-methoxybutoxy)hexadecane
CID 161162906
2-methoxyethoxy(2-methoxyhexoxy)tin
CID 145182971
1,2-bis(2-methylbutoxy)hexane
CID 71465095
1-methoxy-2-methyloctan-4-amine
CID 105125248

Frequently Asked Questions

What is the IUPAC name of methane;3-methoxyheptane;1-methoxy-2-methylhexane?
The IUPAC name of methane;3-methoxyheptane;1-methoxy-2-methylhexane (CID 162176457) is methane;3-methoxyheptane;1-methoxy-2-methylhexane.
What is the SMILES notation for methane;3-methoxyheptane;1-methoxy-2-methylhexane?
The canonical SMILES for methane;3-methoxyheptane;1-methoxy-2-methylhexane is C.CCCCC(C)COC.CCCCC(CC)OC.
What is the InChIKey of methane;3-methoxyheptane;1-methoxy-2-methylhexane?
The InChIKey is ZOLOYCQHKQUYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18O.CH4/c1-4-5-6-8(2)7-9-3;1-4-6-7-8(5-2)9-3;/h2*8H,4-7H2,1-3H3;1H4.
What are the key properties of methane;3-methoxyheptane;1-methoxy-2-methylhexane?
methane;3-methoxyheptane;1-methoxy-2-methylhexane has a molecular weight of 276.50 g/mol, XLogP of 5.70, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methoxyheptane;1-methoxy-2-methylhexane is sourced from PubChem (CID 162176457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).