(E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid

C10H18O3 — CID 10352414

IUPAC(E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid
SMILESC/C(=C\CC[C@@H](C)CCO)C(=O)O
InChIInChI=1S/C10H18O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h5,8,11H,3-4,6-7H2,1-2H3,(H,12,13)/b9-5+/t8-/m1/s1
InChIKeyCDAJACJYYZHNJA-CBVZUMJXSA-N
MW186.25 g/mol
LogP1.82
Rot. Bonds6

About (E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid

(E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid (PubChem CID 10352414) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid.

Molecular Properties

Compound Name(E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid
PubChem CID10352414
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid
SMILESC/C(=C\CC[C@@H](C)CCO)C(=O)O
InChIInChI=1S/C10H18O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h5,8,11H,3-4,6-7H2,1-2H3,(H,12,13)/b9-5+/t8-/m1/s1
InChIKeyCDAJACJYYZHNJA-CBVZUMJXSA-N
XLogP1.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2,4,6-trimethyloct-2-enoic acid
CID 24740399
(E)-2,4-Dimethyl-oct-2-enoic acid
CID 20842160
Foliamenthoic acid
CID 12681385
trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid
CID 5281995
cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid
CID 5281996
8-Hydroxy-2,6-dimethyl-2,6-octadienoic acid
CID 54313026
2,6R-Dimethyl-2E-octen-1,8-dioic acid
CID 56935840
2,4,6-Trimethyloct-2-enoic acid
CID 91469791
(1E,4R,7E,11E)-7,11-dimethyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclotetradeca-1,7,11-triene-1-carboxylic acid
CID 101967174
(4S)-7,11-dimethyl-4-(6-methylhepta-2,5-dien-2-yl)cyclotetradeca-1,7,11-triene-1-carboxylic acid
CID 162909854
(E,6R)-6-[(1S,2R)-2-hydroxy-4-methylcyclohex-3-en-1-yl]-2-methylhept-2-enoic acid
CID 162920991
(1E,4S,7E,11E)-7,11-dimethyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclotetradeca-1,7,11-triene-1-carboxylic acid
CID 163190292

Frequently Asked Questions

What is the IUPAC name of (E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid?
The IUPAC name of (E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid (CID 10352414) is (E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid.
What is the SMILES notation for (E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid?
The canonical SMILES for (E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid is C/C(=C\CC[C@@H](C)CCO)C(=O)O.
What is the InChIKey of (E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid?
The InChIKey is CDAJACJYYZHNJA-CBVZUMJXSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h5,8,11H,3-4,6-7H2,1-2H3,(H,12,13)/b9-5+/t8-/m1/s1.
What are the key properties of (E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid?
(E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-8-hydroxy-2,6-dimethyloct-2-enoic acid is sourced from PubChem (CID 10352414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).