(2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol

C8H16O5 — CID 134906193

IUPAC(2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol
SMILESC=CCC(O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H16O5/c1-2-3-5(10)7(12)8(13)6(11)4-9/h2,5-13H,1,3-4H2/t5?,6-,7-,8-/m1/s1
InChIKeyZMFLKZINFYQUJM-UIYHXYAWSA-N
MW192.21 g/mol
LogP-2.00
Rot. Bonds6

About (2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol

(2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol (PubChem CID 134906193) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol
PubChem CID134906193
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol
SMILESC=CCC(O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H16O5/c1-2-3-5(10)7(12)8(13)6(11)4-9/h2,5-13H,1,3-4H2/t5?,6-,7-,8-/m1/s1
InChIKeyZMFLKZINFYQUJM-UIYHXYAWSA-N
XLogP-2.00
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-2.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol
CID 87557711
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol
CID 101232405
(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol
CID 154708941
3-prop-2-enylbutane-1,2,4-triol
CID 13198343
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
CID 158428296
CID 158428296
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol (CID 134906193) is (2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol is C=CCC(O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol?
The InChIKey is ZMFLKZINFYQUJM-UIYHXYAWSA-N. The full InChI is InChI=1S/C8H16O5/c1-2-3-5(10)7(12)8(13)6(11)4-9/h2,5-13H,1,3-4H2/t5?,6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol?
(2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol has a molecular weight of 192.21 g/mol, XLogP of -2.00, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol is sourced from PubChem (CID 134906193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).