2-ethylpentane-1,2,3,4,5-pentol

C7H16O5 — CID 118685855

IUPAC2-ethylpentane-1,2,3,4,5-pentol
SMILESCCC(O)(CO)C(O)C(O)CO
InChIInChI=1S/C7H16O5/c1-2-7(12,4-9)6(11)5(10)3-8/h5-6,8-12H,2-4H2,1H3
InChIKeySVKSYPMRZATYEX-UHFFFAOYSA-N
MW180.20 g/mol
LogP-2.17
Rot. Bonds5

About 2-ethylpentane-1,2,3,4,5-pentol

2-ethylpentane-1,2,3,4,5-pentol (PubChem CID 118685855) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-ethylpentane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name2-ethylpentane-1,2,3,4,5-pentol
PubChem CID118685855
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Name2-ethylpentane-1,2,3,4,5-pentol
SMILESCCC(O)(CO)C(O)C(O)CO
InChIInChI=1S/C7H16O5/c1-2-7(12,4-9)6(11)5(10)3-8/h5-6,8-12H,2-4H2,1H3
InChIKeySVKSYPMRZATYEX-UHFFFAOYSA-N
XLogP-2.17
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

1-amino-2-ethylpropane-1,2,3-triol
CID 118051862
ethane;2-ethyl-3-methylbutane-1,2-diol
CID 143778282
butane-1,2,3,4-tetrol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 18956858
2-(hydroxymethyl)-5-methoxypentane-1,2,3,4-tetrol
CID 123519552
(2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol
CID 54330413
(2S,3R,4R,5R)-4,6-bis[(2-ethylphenyl)methyl]octane-1,2,3,4,5,6-hexol
CID 141459837
hexane-1,2,3,3,4,5,6-heptol
CID 59979821
butane;butane-1,2,3,4-tetrol
CID 155273073
(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-methylpentanal
CID 18341048
tris(propane-1,1,1-triol);bis(propane-1,2,3-triol)
CID 173016399
(2S,3R,4R,5R)-4,6-bis[(2,3,5-trimethylphenyl)methyl]octane-1,2,3,4,5,6-hexol
CID 141459627
2,3,4,5,6-pentahydroxy-3-methylhexanoic acid
CID 18957545

Frequently Asked Questions

What is the IUPAC name of 2-ethylpentane-1,2,3,4,5-pentol?
The IUPAC name of 2-ethylpentane-1,2,3,4,5-pentol (CID 118685855) is 2-ethylpentane-1,2,3,4,5-pentol.
What is the SMILES notation for 2-ethylpentane-1,2,3,4,5-pentol?
The canonical SMILES for 2-ethylpentane-1,2,3,4,5-pentol is CCC(O)(CO)C(O)C(O)CO.
What is the InChIKey of 2-ethylpentane-1,2,3,4,5-pentol?
The InChIKey is SVKSYPMRZATYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5/c1-2-7(12,4-9)6(11)5(10)3-8/h5-6,8-12H,2-4H2,1H3.
What are the key properties of 2-ethylpentane-1,2,3,4,5-pentol?
2-ethylpentane-1,2,3,4,5-pentol has a molecular weight of 180.20 g/mol, XLogP of -2.17, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpentane-1,2,3,4,5-pentol is sourced from PubChem (CID 118685855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).