(1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol

C11H18O5 — CID 146684114

IUPAC(1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol
SMILESCC(C)(O)C=CC1=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H18O5/c1-11(2,16)4-3-6-5-7(12)9(14)10(15)8(6)13/h3-5,7-10,12-16H,1-2H3/t7-,8+,9-,10+/m1/s1
InChIKeyPMWWGXUFWVBHBI-RGOKHQFPSA-N
MW230.26 g/mol
LogP-1.30
Rot. Bonds2

About (1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol

(1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol (PubChem CID 146684114) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol
PubChem CID146684114
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol
SMILESCC(C)(O)C=CC1=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H18O5/c1-11(2,16)4-3-6-5-7(12)9(14)10(15)8(6)13/h3-5,7-10,12-16H,1-2H3/t7-,8+,9-,10+/m1/s1
InChIKeyPMWWGXUFWVBHBI-RGOKHQFPSA-N
XLogP-1.30
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol?
The IUPAC name of (1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol (CID 146684114) is (1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol?
The canonical SMILES for (1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol is CC(C)(O)C=CC1=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol?
The InChIKey is PMWWGXUFWVBHBI-RGOKHQFPSA-N. The full InChI is InChI=1S/C11H18O5/c1-11(2,16)4-3-6-5-7(12)9(14)10(15)8(6)13/h3-5,7-10,12-16H,1-2H3/t7-,8+,9-,10+/m1/s1.
What are the key properties of (1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol?
(1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol has a molecular weight of 230.26 g/mol, XLogP of -1.30, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S)-5-(3-hydroxy-3-methylbut-1-enyl)cyclohex-5-ene-1,2,3,4-tetrol is sourced from PubChem (CID 146684114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).