6-methoxyhexane-1,1,6-triol

C7H16O4 — CID 155462430

IUPAC6-methoxyhexane-1,1,6-triol
SMILESCOC(O)CCCCC(O)O
InChIInChI=1S/C7H16O4/c1-11-7(10)5-3-2-4-6(8)9/h6-10H,2-5H2,1H3
InChIKeyNLVRBFLVMXSRRX-UHFFFAOYSA-N
MW164.20 g/mol
LogP-0.18
Rot. Bonds6

About 6-methoxyhexane-1,1,6-triol

6-methoxyhexane-1,1,6-triol (PubChem CID 155462430) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 6-methoxyhexane-1,1,6-triol.

Molecular Properties

Compound Name6-methoxyhexane-1,1,6-triol
PubChem CID155462430
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name6-methoxyhexane-1,1,6-triol
SMILESCOC(O)CCCCC(O)O
InChIInChI=1S/C7H16O4/c1-11-7(10)5-3-2-4-6(8)9/h6-10H,2-5H2,1H3
InChIKeyNLVRBFLVMXSRRX-UHFFFAOYSA-N
XLogP-0.18
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 138403001
1-methoxydodecan-1-ol
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1-methoxy-5-methylhexan-1-ol
CID 167712428
octane-1,1,8,8-tetrol
CID 88519685
methoxymethane;tridecane-1,1-diol
CID 18004105
ethane;bis(1-methoxybutan-1-ol)
CID 144737274
cyclopropanamine;1-methoxyundecane-1,10-diol
CID 143414663
4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol
CID 163444865
decane;dodecane-1,1-diol
CID 162011285
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
nonacosane-1,1-diol
CID 23066924

Frequently Asked Questions

What is the IUPAC name of 6-methoxyhexane-1,1,6-triol?
The IUPAC name of 6-methoxyhexane-1,1,6-triol (CID 155462430) is 6-methoxyhexane-1,1,6-triol.
What is the SMILES notation for 6-methoxyhexane-1,1,6-triol?
The canonical SMILES for 6-methoxyhexane-1,1,6-triol is COC(O)CCCCC(O)O.
What is the InChIKey of 6-methoxyhexane-1,1,6-triol?
The InChIKey is NLVRBFLVMXSRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4/c1-11-7(10)5-3-2-4-6(8)9/h6-10H,2-5H2,1H3.
What are the key properties of 6-methoxyhexane-1,1,6-triol?
6-methoxyhexane-1,1,6-triol has a molecular weight of 164.20 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyhexane-1,1,6-triol is sourced from PubChem (CID 155462430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).