(5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid

C10H18O4 — CID 173238489

IUPAC(5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid
SMILESCC=C[C@@H](O)C(C)C(O)C(C)C(=O)O
InChIInChI=1S/C10H18O4/c1-4-5-8(11)6(2)9(12)7(3)10(13)14/h4-9,11-12H,1-3H3,(H,13,14)/t6?,7?,8-,9?/m1/s1
InChIKeyIBOCDBUCVJFQPN-DIVUHBNLSA-N
MW202.25 g/mol
LogP0.64
Rot. Bonds5

About (5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid

(5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid (PubChem CID 173238489) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid.

Molecular Properties

Compound Name(5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid
PubChem CID173238489
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid
SMILESCC=C[C@@H](O)C(C)C(O)C(C)C(=O)O
InChIInChI=1S/C10H18O4/c1-4-5-8(11)6(2)9(12)7(3)10(13)14/h4-9,11-12H,1-3H3,(H,13,14)/t6?,7?,8-,9?/m1/s1
InChIKeyIBOCDBUCVJFQPN-DIVUHBNLSA-N
XLogP0.64
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,3R,4S,5R)-3,5-dihydroxy-4-methyloct-6-enoic acid
CID 163050810
(E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoic acid
CID 10539167
(4S)-4-hydroxy-2,3-dimethylpentanoic acid
CID 146599798
(E)-3-hydroxy-2,6,6-trimethylhept-4-enoic acid
CID 5370355
2-[(E)-prop-1-enyl]propanedioic acid;hydrate
CID 172795597
3-hydroxy-2,4,6-trimethyloctanoic acid
CID 14753157
(4E,6S,7R,8S,9R,10Z,12Z,14R,15R,16E)-17-bromo-7,9,15-trihydroxy-5,6,8,14,16-pentamethylheptadeca-4,10,12,16-tetraenoic acid
CID 53493278
4-ethyl-3,5-dihydroxy-2-methylhexanoic acid
CID 23094284
2-hydroxypropanoic acid
CID 87075455
(2S,3R,4S,5R)-4-ethyl-3,5-dihydroxy-2-methylheptanoic acid
CID 54168213
2-methoxypent-3-enoic acid
CID 131268395
(E)-2-ethylpent-3-enoic acid
CID 12678748

Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid?
The IUPAC name of (5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid (CID 173238489) is (5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid.
What is the SMILES notation for (5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid?
The canonical SMILES for (5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid is CC=C[C@@H](O)C(C)C(O)C(C)C(=O)O.
What is the InChIKey of (5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid?
The InChIKey is IBOCDBUCVJFQPN-DIVUHBNLSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-5-8(11)6(2)9(12)7(3)10(13)14/h4-9,11-12H,1-3H3,(H,13,14)/t6?,7?,8-,9?/m1/s1.
What are the key properties of (5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid?
(5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-dihydroxy-2,4-dimethyloct-6-enoic acid is sourced from PubChem (CID 173238489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).