(2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one

C11H18O5 — CID 178068572

IUPAC(2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one
SMILESO=C(C1=CCCCC1)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H18O5/c12-6-8(13)10(15)11(16)9(14)7-4-2-1-3-5-7/h4,8,10-13,15-16H,1-3,5-6H2/t8-,10-,11+/m1/s1
InChIKeyKAFOKWADILDXOG-IEBDPFPHSA-N
MW230.26 g/mol
LogP-0.87
Rot. Bonds5

About (2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one

(2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one (PubChem CID 178068572) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one.

Molecular Properties

Compound Name(2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one
PubChem CID178068572
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one
SMILESO=C(C1=CCCCC1)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H18O5/c12-6-8(13)10(15)11(16)9(14)7-4-2-1-3-5-7/h4,8,10-13,15-16H,1-3,5-6H2/t8-,10-,11+/m1/s1
InChIKeyKAFOKWADILDXOG-IEBDPFPHSA-N
XLogP-0.87
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
2,3-dihydroxypropyl cyclodecene-1-carboxylate
CID 175925690
2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309405
2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one
CID 106655359
hydroxymethyl cyclohexene-1-carboxylate
CID 91001163
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
CID 106655718
1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 106655273
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
CID 86337331
2,2-bis(hydroxymethyl)propane-1,3-diol;tetrakis(cyclohexene-1-carboxylic acid)
CID 69176764
6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one
CID 106655363

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one?
The IUPAC name of (2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one (CID 178068572) is (2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one.
What is the SMILES notation for (2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one?
The canonical SMILES for (2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one is O=C(C1=CCCCC1)[C@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one?
The InChIKey is KAFOKWADILDXOG-IEBDPFPHSA-N. The full InChI is InChI=1S/C11H18O5/c12-6-8(13)10(15)11(16)9(14)7-4-2-1-3-5-7/h4,8,10-13,15-16H,1-3,5-6H2/t8-,10-,11+/m1/s1.
What are the key properties of (2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one?
(2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one has a molecular weight of 230.26 g/mol, XLogP of -0.87, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one is sourced from PubChem (CID 178068572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).