6-methoxy-3-methylhexan-3-ol

C8H18O2 — CID 114851780

IUPAC6-methoxy-3-methylhexan-3-ol
SMILESCCC(C)(O)CCCOC
InChIInChI=1S/C8H18O2/c1-4-8(2,9)6-5-7-10-3/h9H,4-7H2,1-3H3
InChIKeyQFIAJTCODYRMGG-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.57
Rot. Bonds5

About 6-methoxy-3-methylhexan-3-ol

6-methoxy-3-methylhexan-3-ol (PubChem CID 114851780) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 6-methoxy-3-methylhexan-3-ol.

Molecular Properties

Compound Name6-methoxy-3-methylhexan-3-ol
PubChem CID114851780
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name6-methoxy-3-methylhexan-3-ol
SMILESCCC(C)(O)CCCOC
InChIInChI=1S/C8H18O2/c1-4-8(2,9)6-5-7-10-3/h9H,4-7H2,1-3H3
InChIKeyQFIAJTCODYRMGG-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-5-methoxy-2-methylpentan-2-ol
CID 114852753
3-(aminomethyl)-6-methoxyhexan-3-ol
CID 114852603
sodium;hydride;3-methylheptan-3-ol
CID 175497399
1-amino-5-(2-methoxyethoxy)-2-methylpentan-2-ol
CID 64812317
3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol
CID 114852616
6-(dimethylamino)-3-methylhexan-3-ol
CID 12542595
azane;3-methylhenicosan-3-ol;hydrochloride
CID 173459542
3,8-dimethyldecane-3,7-diol
CID 87743565
hydroxy(oxo)titanium;3-methylheptan-3-ol
CID 87558303
7-methoxy-3-methylheptan-3-amine
CID 104650485
2-(ethylamino)-5-methoxy-2-methylpentan-1-ol
CID 64804916
1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol
CID 104985809

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methylhexan-3-ol?
The IUPAC name of 6-methoxy-3-methylhexan-3-ol (CID 114851780) is 6-methoxy-3-methylhexan-3-ol.
What is the SMILES notation for 6-methoxy-3-methylhexan-3-ol?
The canonical SMILES for 6-methoxy-3-methylhexan-3-ol is CCC(C)(O)CCCOC.
What is the InChIKey of 6-methoxy-3-methylhexan-3-ol?
The InChIKey is QFIAJTCODYRMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-8(2,9)6-5-7-10-3/h9H,4-7H2,1-3H3.
What are the key properties of 6-methoxy-3-methylhexan-3-ol?
6-methoxy-3-methylhexan-3-ol has a molecular weight of 146.23 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methylhexan-3-ol is sourced from PubChem (CID 114851780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).