(2R)-2-methylnon-8-enoic acid

C10H18O2 — CID 129385535

IUPAC(2R)-2-methylnon-8-enoic acid
SMILESC=CCCCCC[C@@H](C)C(=O)O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-7-8-9(2)10(11)12/h3,9H,1,4-8H2,2H3,(H,11,12)/t9-/m1/s1
InChIKeyRKURGFBZYQOIIK-SECBINFHSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds7

About (2R)-2-methylnon-8-enoic acid

(2R)-2-methylnon-8-enoic acid (PubChem CID 129385535) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R)-2-methylnon-8-enoic acid.

Molecular Properties

Compound Name(2R)-2-methylnon-8-enoic acid
PubChem CID129385535
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R)-2-methylnon-8-enoic acid
SMILESC=CCCCCC[C@@H](C)C(=O)O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-7-8-9(2)10(11)12/h3,9H,1,4-8H2,2H3,(H,11,12)/t9-/m1/s1
InChIKeyRKURGFBZYQOIIK-SECBINFHSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-methylnon-8-enoate
CID 58289580
dioxane;2-methylhept-6-enoic acid
CID 174547200
iodo 2-methyldec-9-enoate
CID 87697423
non-8-en-2-ylcarbamic acid
CID 175945835
20-methylhenicosa-2,4-dienedioic acid
CID 118414903
4-[bis(3-carboxybutyl)-tetradec-13-enylazaniumyl]-2-methylbutanoate
CID 177396202
2,11-dimethyldodecanoic acid
CID 22251841
2,9-dimethyldecanoic acid
CID 22251838
(E)-2-methylnon-7-enoic acid
CID 146276957
2-pentyldec-9-enoic acid
CID 175975601
2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid
CID 87921197
2-prop-2-enyldodec-11-enoic acid
CID 88827199

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylnon-8-enoic acid?
The IUPAC name of (2R)-2-methylnon-8-enoic acid (CID 129385535) is (2R)-2-methylnon-8-enoic acid.
What is the SMILES notation for (2R)-2-methylnon-8-enoic acid?
The canonical SMILES for (2R)-2-methylnon-8-enoic acid is C=CCCCCC[C@@H](C)C(=O)O.
What is the InChIKey of (2R)-2-methylnon-8-enoic acid?
The InChIKey is RKURGFBZYQOIIK-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9(2)10(11)12/h3,9H,1,4-8H2,2H3,(H,11,12)/t9-/m1/s1.
What are the key properties of (2R)-2-methylnon-8-enoic acid?
(2R)-2-methylnon-8-enoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylnon-8-enoic acid is sourced from PubChem (CID 129385535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).