1-nonan-3-yloxyhexane-1,2,3,4,6-pentol

C15H32O6 — CID 90847173

IUPAC1-nonan-3-yloxyhexane-1,2,3,4,6-pentol
SMILESCCCCCCC(CC)OC(O)C(O)C(O)C(O)CCO
InChIInChI=1S/C15H32O6/c1-3-5-6-7-8-11(4-2)21-15(20)14(19)13(18)12(17)9-10-16/h11-20H,3-10H2,1-2H3
InChIKeyHGJIDGFMTJMPDI-UHFFFAOYSA-N
MW308.42 g/mol
LogP0.54
Rot. Bonds13

About 1-nonan-3-yloxyhexane-1,2,3,4,6-pentol

1-nonan-3-yloxyhexane-1,2,3,4,6-pentol (PubChem CID 90847173) has the molecular formula C15H32O6 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-nonan-3-yloxyhexane-1,2,3,4,6-pentol.

Molecular Properties

Compound Name1-nonan-3-yloxyhexane-1,2,3,4,6-pentol
PubChem CID90847173
Molecular FormulaC15H32O6
Molecular Weight308.42 g/mol
Exact Mass308.22
IUPAC Name1-nonan-3-yloxyhexane-1,2,3,4,6-pentol
SMILESCCCCCCC(CC)OC(O)C(O)C(O)C(O)CCO
InChIInChI=1S/C15H32O6/c1-3-5-6-7-8-11(4-2)21-15(20)14(19)13(18)12(17)9-10-16/h11-20H,3-10H2,1-2H3
InChIKeyHGJIDGFMTJMPDI-UHFFFAOYSA-N
XLogP0.54
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 50.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

1-(6-dodecan-4-yloxy-1,4,6-trihydroxy-5-methylhexan-3-yl)oxyhexane-1,2,3,4,6-pentol
CID 91313722
1-decan-2-yloxyhexane-1,2,3,4,6-pentol
CID 91342707
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
4-octan-3-yloxyhexane-1,2,6-triol
CID 138741119
4-ethylnonadecane-1,3-diol
CID 57082750
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
2-(1-hydroxyhexadecan-2-yloxy)hexadecan-1-ol
CID 87617738
3-nonoxypentan-1-ol
CID 141114457
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
(4S)-4-methoxyundecan-1-ol
CID 53329455

Frequently Asked Questions

What is the IUPAC name of 1-nonan-3-yloxyhexane-1,2,3,4,6-pentol?
The IUPAC name of 1-nonan-3-yloxyhexane-1,2,3,4,6-pentol (CID 90847173) is 1-nonan-3-yloxyhexane-1,2,3,4,6-pentol.
What is the SMILES notation for 1-nonan-3-yloxyhexane-1,2,3,4,6-pentol?
The canonical SMILES for 1-nonan-3-yloxyhexane-1,2,3,4,6-pentol is CCCCCCC(CC)OC(O)C(O)C(O)C(O)CCO.
What is the InChIKey of 1-nonan-3-yloxyhexane-1,2,3,4,6-pentol?
The InChIKey is HGJIDGFMTJMPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6/c1-3-5-6-7-8-11(4-2)21-15(20)14(19)13(18)12(17)9-10-16/h11-20H,3-10H2,1-2H3.
What are the key properties of 1-nonan-3-yloxyhexane-1,2,3,4,6-pentol?
1-nonan-3-yloxyhexane-1,2,3,4,6-pentol has a molecular weight of 308.42 g/mol, XLogP of 0.54, 13 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonan-3-yloxyhexane-1,2,3,4,6-pentol is sourced from PubChem (CID 90847173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).