(7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid

C14H24O3 — CID 150660934

IUPAC(7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid
SMILESC=C=C(C)C[C@@H](O)CCCCC(C)(C)C(=O)O
InChIInChI=1S/C14H24O3/c1-5-11(2)10-12(15)8-6-7-9-14(3,4)13(16)17/h12,15H,1,6-10H2,2-4H3,(H,16,17)/t12-/m0/s1
InChIKeyJDWHGQUWNTYAPN-LBPRGKRZSA-N
MW240.34 g/mol
LogP3.14
Rot. Bonds8

About (7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid

(7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid (PubChem CID 150660934) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid.

Molecular Properties

Compound Name(7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid
PubChem CID150660934
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid
SMILESC=C=C(C)C[C@@H](O)CCCCC(C)(C)C(=O)O
InChIInChI=1S/C14H24O3/c1-5-11(2)10-12(15)8-6-7-9-14(3,4)13(16)17/h12,15H,1,6-10H2,2-4H3,(H,16,17)/t12-/m0/s1
InChIKeyJDWHGQUWNTYAPN-LBPRGKRZSA-N
XLogP3.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid?
The IUPAC name of (7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid (CID 150660934) is (7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid.
What is the SMILES notation for (7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid?
The canonical SMILES for (7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid is C=C=C(C)C[C@@H](O)CCCCC(C)(C)C(=O)O.
What is the InChIKey of (7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid?
The InChIKey is JDWHGQUWNTYAPN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-11(2)10-12(15)8-6-7-9-14(3,4)13(16)17/h12,15H,1,6-10H2,2-4H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid?
(7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid has a molecular weight of 240.34 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid is sourced from PubChem (CID 150660934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).