(3R)-3,7-dimethyloct-6-enoic acid

C10H18O2 — CID 6999957

IUPAC(3R)-3,7-dimethyloct-6-enoic acid
SMILESCC(C)=CCC[C@@H](C)CC(=O)O
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)/t9-/m1/s1
InChIKeyGJWSUKYXUMVMGX-SECBINFHSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds5

About (3R)-3,7-dimethyloct-6-enoic acid

(3R)-3,7-dimethyloct-6-enoic acid (PubChem CID 6999957) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3R)-3,7-dimethyloct-6-enoic acid.

Molecular Properties

Compound Name(3R)-3,7-dimethyloct-6-enoic acid
PubChem CID6999957
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3R)-3,7-dimethyloct-6-enoic acid
SMILESCC(C)=CCC[C@@H](C)CC(=O)O
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)/t9-/m1/s1
InChIKeyGJWSUKYXUMVMGX-SECBINFHSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-3,7-dimethyloct-6-enoic acid?
The IUPAC name of (3R)-3,7-dimethyloct-6-enoic acid (CID 6999957) is (3R)-3,7-dimethyloct-6-enoic acid.
What is the SMILES notation for (3R)-3,7-dimethyloct-6-enoic acid?
The canonical SMILES for (3R)-3,7-dimethyloct-6-enoic acid is CC(C)=CCC[C@@H](C)CC(=O)O.
What is the InChIKey of (3R)-3,7-dimethyloct-6-enoic acid?
The InChIKey is GJWSUKYXUMVMGX-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)/t9-/m1/s1.
What are the key properties of (3R)-3,7-dimethyloct-6-enoic acid?
(3R)-3,7-dimethyloct-6-enoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7-dimethyloct-6-enoic acid is sourced from PubChem (CID 6999957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).