heptane-2,3,4,5,6-pentol

C7H16O5 — CID 59809248

IUPACheptane-2,3,4,5,6-pentol
SMILESCC(O)C(O)C(O)C(O)C(C)O
InChIInChI=1S/C7H16O5/c1-3(8)5(10)7(12)6(11)4(2)9/h3-12H,1-2H3
InChIKeyLLOQNANXXVZMIF-UHFFFAOYSA-N
MW180.20 g/mol
LogP-2.17
Rot. Bonds4

About heptane-2,3,4,5,6-pentol

heptane-2,3,4,5,6-pentol (PubChem CID 59809248) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is heptane-2,3,4,5,6-pentol.

Molecular Properties

Compound Nameheptane-2,3,4,5,6-pentol
PubChem CID59809248
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Nameheptane-2,3,4,5,6-pentol
SMILESCC(O)C(O)C(O)C(O)C(C)O
InChIInChI=1S/C7H16O5/c1-3(8)5(10)7(12)6(11)4(2)9/h3-12H,1-2H3
InChIKeyLLOQNANXXVZMIF-UHFFFAOYSA-N
XLogP-2.17
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-2.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of heptane-2,3,4,5,6-pentol?
The IUPAC name of heptane-2,3,4,5,6-pentol (CID 59809248) is heptane-2,3,4,5,6-pentol.
What is the SMILES notation for heptane-2,3,4,5,6-pentol?
The canonical SMILES for heptane-2,3,4,5,6-pentol is CC(O)C(O)C(O)C(O)C(C)O.
What is the InChIKey of heptane-2,3,4,5,6-pentol?
The InChIKey is LLOQNANXXVZMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5/c1-3(8)5(10)7(12)6(11)4(2)9/h3-12H,1-2H3.
What are the key properties of heptane-2,3,4,5,6-pentol?
heptane-2,3,4,5,6-pentol has a molecular weight of 180.20 g/mol, XLogP of -2.17, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-2,3,4,5,6-pentol is sourced from PubChem (CID 59809248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).