1-methoxy-2,4,5-trimethylheptane

C11H24O — CID 177138936

IUPAC1-methoxy-2,4,5-trimethylheptane
SMILESCCC(C)C(C)CC(C)COC
InChIInChI=1S/C11H24O/c1-6-10(3)11(4)7-9(2)8-12-5/h9-11H,6-8H2,1-5H3
InChIKeySHXRPISOSKNFCC-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.34
Rot. Bonds6

About 1-methoxy-2,4,5-trimethylheptane

1-methoxy-2,4,5-trimethylheptane (PubChem CID 177138936) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 1-methoxy-2,4,5-trimethylheptane.

Molecular Properties

Compound Name1-methoxy-2,4,5-trimethylheptane
PubChem CID177138936
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name1-methoxy-2,4,5-trimethylheptane
SMILESCCC(C)C(C)CC(C)COC
InChIInChI=1S/C11H24O/c1-6-10(3)11(4)7-9(2)8-12-5/h9-11H,6-8H2,1-5H3
InChIKeySHXRPISOSKNFCC-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;1-methoxy-2-methylbutane;propane
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5-ethyl-1-methoxy-2-methylheptan-4-amine
CID 105168463
1-methoxy-N,2,6-trimethyloctan-4-amine
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1,4-dimethoxy-2-methylpentane
CID 58003999
ethane;1-methoxy-2,4,5,9,9-pentamethyldecane
CID 171102890
N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 79569405
1-methoxy-2,22-dimethyltetracosane
CID 86173032
5-methoxy-4-methyl-N-propylpentan-2-amine
CID 79569722
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
alumane;2,4,5-trimethylheptane
CID 174508217
ethane;2,4,5-trimethylheptane
CID 142268679

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,4,5-trimethylheptane?
The IUPAC name of 1-methoxy-2,4,5-trimethylheptane (CID 177138936) is 1-methoxy-2,4,5-trimethylheptane.
What is the SMILES notation for 1-methoxy-2,4,5-trimethylheptane?
The canonical SMILES for 1-methoxy-2,4,5-trimethylheptane is CCC(C)C(C)CC(C)COC.
What is the InChIKey of 1-methoxy-2,4,5-trimethylheptane?
The InChIKey is SHXRPISOSKNFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-10(3)11(4)7-9(2)8-12-5/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-methoxy-2,4,5-trimethylheptane?
1-methoxy-2,4,5-trimethylheptane has a molecular weight of 172.31 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,4,5-trimethylheptane is sourced from PubChem (CID 177138936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).