1-methoxy-5-methylhexan-1-ol

C8H18O2 — CID 167712428

IUPAC1-methoxy-5-methylhexan-1-ol
SMILESCOC(O)CCCC(C)C
InChIInChI=1S/C8H18O2/c1-7(2)5-4-6-8(9)10-3/h7-9H,4-6H2,1-3H3
InChIKeyQJMWAQADRMEHJN-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.78
Rot. Bonds5

About 1-methoxy-5-methylhexan-1-ol

1-methoxy-5-methylhexan-1-ol (PubChem CID 167712428) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-methoxy-5-methylhexan-1-ol.

Molecular Properties

Compound Name1-methoxy-5-methylhexan-1-ol
PubChem CID167712428
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name1-methoxy-5-methylhexan-1-ol
SMILESCOC(O)CCCC(C)C
InChIInChI=1S/C8H18O2/c1-7(2)5-4-6-8(9)10-3/h7-9H,4-6H2,1-3H3
InChIKeyQJMWAQADRMEHJN-UHFFFAOYSA-N
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
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

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2-methoxy-3,7-dimethyloctane
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ethane;bis(1-methoxybutan-1-ol)
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cyclopropanamine;1-methoxyundecane-1,10-diol
CID 143414663
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
10-methylundecane-2,6-diol
CID 88681561
6-methyl-1-propan-2-yloxyheptan-2-ol
CID 105122821
methyl (2S)-2,6-dimethylheptanoate
CID 54536148
1-methoxy-6-methyl-1-phenylheptan-2-ol
CID 116756994
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-methylhexan-1-ol?
The IUPAC name of 1-methoxy-5-methylhexan-1-ol (CID 167712428) is 1-methoxy-5-methylhexan-1-ol.
What is the SMILES notation for 1-methoxy-5-methylhexan-1-ol?
The canonical SMILES for 1-methoxy-5-methylhexan-1-ol is COC(O)CCCC(C)C.
What is the InChIKey of 1-methoxy-5-methylhexan-1-ol?
The InChIKey is QJMWAQADRMEHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-7(2)5-4-6-8(9)10-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-5-methylhexan-1-ol?
1-methoxy-5-methylhexan-1-ol has a molecular weight of 146.23 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-methylhexan-1-ol is sourced from PubChem (CID 167712428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).