1-methoxy-3,7-dimethyloctane

C11H24O — CID 3022584

IUPAC1-methoxy-3,7-dimethyloctane
SMILESCOCCC(C)CCCC(C)C
InChIInChI=1S/C11H24O/c1-10(2)6-5-7-11(3)8-9-12-4/h10-11H,5-9H2,1-4H3
InChIKeyXBFMCXPIVMBHAL-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.49
Rot. Bonds7

About 1-methoxy-3,7-dimethyloctane

1-methoxy-3,7-dimethyloctane (PubChem CID 3022584) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 1-methoxy-3,7-dimethyloctane.

Molecular Properties

Compound Name1-methoxy-3,7-dimethyloctane
PubChem CID3022584
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name1-methoxy-3,7-dimethyloctane
SMILESCOCCC(C)CCCC(C)C
InChIInChI=1S/C11H24O/c1-10(2)6-5-7-11(3)8-9-12-4/h10-11H,5-9H2,1-4H3
InChIKeyXBFMCXPIVMBHAL-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,7-dimethyloctane?
The IUPAC name of 1-methoxy-3,7-dimethyloctane (CID 3022584) is 1-methoxy-3,7-dimethyloctane.
What is the SMILES notation for 1-methoxy-3,7-dimethyloctane?
The canonical SMILES for 1-methoxy-3,7-dimethyloctane is COCCC(C)CCCC(C)C.
What is the InChIKey of 1-methoxy-3,7-dimethyloctane?
The InChIKey is XBFMCXPIVMBHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-10(2)6-5-7-11(3)8-9-12-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-methoxy-3,7-dimethyloctane?
1-methoxy-3,7-dimethyloctane has a molecular weight of 172.31 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,7-dimethyloctane is sourced from PubChem (CID 3022584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).