5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol

C10H22O5 — CID 91301231

IUPAC5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol
SMILESOCCCC(CCCC(O)O)C(O)CO
InChIInChI=1S/C10H22O5/c11-6-2-4-8(9(13)7-12)3-1-5-10(14)15/h8-15H,1-7H2
InChIKeyGCTNRGTYKGYFAW-UHFFFAOYSA-N
MW222.28 g/mol
LogP-0.79
Rot. Bonds9

About 5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol

5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol (PubChem CID 91301231) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol.

Molecular Properties

Compound Name5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol
PubChem CID91301231
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol
SMILESOCCCC(CCCC(O)O)C(O)CO
InChIInChI=1S/C10H22O5/c11-6-2-4-8(9(13)7-12)3-1-5-10(14)15/h8-15H,1-7H2
InChIKeyGCTNRGTYKGYFAW-UHFFFAOYSA-N
XLogP-0.79
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-0.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hexane-1,2,3,6-tetrol
CID 5209802
4-(2-hydroxyethyl)octane-1,5-diol
CID 173344574
3-propylnonane-1,2-diol
CID 142914720
(2S,3R)-3-propylnonane-1,2-diol
CID 132503720
bis(butane-1,4-diol);hexane-1,2,3,4,5,6-hexol
CID 134284042
nonane-1,2,3,9-tetrol
CID 87488161
2-butyl-3-(hydroxymethyl)hexane-1,6-diol
CID 175072531
tridecane-1,4,5,13-tetrol
CID 57164237
(2R,3S)-pent-4-yne-1,2,3-triol
CID 131065464
octane-1,1,8,8-tetrol
CID 88519685
11-octadecylicosane-1,10,20-triol
CID 174674177
9-(2-hydroxyethyl)hexadecane-1,1,16-triol
CID 87737483

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol?
The IUPAC name of 5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol (CID 91301231) is 5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol.
What is the SMILES notation for 5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol?
The canonical SMILES for 5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol is OCCCC(CCCC(O)O)C(O)CO.
What is the InChIKey of 5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol?
The InChIKey is GCTNRGTYKGYFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5/c11-6-2-4-8(9(13)7-12)3-1-5-10(14)15/h8-15H,1-7H2.
What are the key properties of 5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol?
5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol has a molecular weight of 222.28 g/mol, XLogP of -0.79, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol is sourced from PubChem (CID 91301231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).