(3R)-3-hydroxy-7-methyloct-6-enoic acid

C9H16O3 — CID 14333599

IUPAC(3R)-3-hydroxy-7-methyloct-6-enoic acid
SMILESCC(C)=CCC[C@@H](O)CC(=O)O
InChIInChI=1S/C9H16O3/c1-7(2)4-3-5-8(10)6-9(11)12/h4,8,10H,3,5-6H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyFQYYTNDVLHRMGY-MRVPVSSYSA-N
MW172.22 g/mol
LogP1.57
Rot. Bonds5

About (3R)-3-hydroxy-7-methyloct-6-enoic acid

(3R)-3-hydroxy-7-methyloct-6-enoic acid (PubChem CID 14333599) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (3R)-3-hydroxy-7-methyloct-6-enoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-7-methyloct-6-enoic acid
PubChem CID14333599
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(3R)-3-hydroxy-7-methyloct-6-enoic acid
SMILESCC(C)=CCC[C@@H](O)CC(=O)O
InChIInChI=1S/C9H16O3/c1-7(2)4-3-5-8(10)6-9(11)12/h4,8,10H,3,5-6H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyFQYYTNDVLHRMGY-MRVPVSSYSA-N
XLogP1.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-7-methyloct-6-enoic acid?
The IUPAC name of (3R)-3-hydroxy-7-methyloct-6-enoic acid (CID 14333599) is (3R)-3-hydroxy-7-methyloct-6-enoic acid.
What is the SMILES notation for (3R)-3-hydroxy-7-methyloct-6-enoic acid?
The canonical SMILES for (3R)-3-hydroxy-7-methyloct-6-enoic acid is CC(C)=CCC[C@@H](O)CC(=O)O.
What is the InChIKey of (3R)-3-hydroxy-7-methyloct-6-enoic acid?
The InChIKey is FQYYTNDVLHRMGY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O3/c1-7(2)4-3-5-8(10)6-9(11)12/h4,8,10H,3,5-6H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (3R)-3-hydroxy-7-methyloct-6-enoic acid?
(3R)-3-hydroxy-7-methyloct-6-enoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-7-methyloct-6-enoic acid is sourced from PubChem (CID 14333599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).