(2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid

C15H26O2 — CID 87232686

IUPAC(2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid
SMILESC=C(C)[C@@](C)(C(=O)O)[C@@H](C)CCCC=C(C)C
InChIInChI=1S/C15H26O2/c1-11(2)9-7-8-10-13(5)15(6,12(3)4)14(16)17/h9,13H,3,7-8,10H2,1-2,4-6H3,(H,16,17)/t13-,15+/m0/s1
InChIKeyJLLPZNWMUMCYDD-DZGCQCFKSA-N
MW238.37 g/mol
LogP4.43
Rot. Bonds7

About (2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid

(2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid (PubChem CID 87232686) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid.

Molecular Properties

Compound Name(2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid
PubChem CID87232686
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid
SMILESC=C(C)[C@@](C)(C(=O)O)[C@@H](C)CCCC=C(C)C
InChIInChI=1S/C15H26O2/c1-11(2)9-7-8-10-13(5)15(6,12(3)4)14(16)17/h9,13H,3,7-8,10H2,1-2,4-6H3,(H,16,17)/t13-,15+/m0/s1
InChIKeyJLLPZNWMUMCYDD-DZGCQCFKSA-N
XLogP4.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.43
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'}

Analyze (2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dimethyl-2-prop-1-en-2-yloct-6-enoic acid
CID 175178863
2-hydroxy-7-methyloct-6-enoic acid
CID 141345333
magnesium;2-hexan-2-yl-2-methylpropanedioic acid;hydride
CID 174967737
(7R)-6,6,7,11-tetramethyldodec-10-en-5-one
CID 87515653
3,3,4,8-tetramethylnon-7-en-2-ol
CID 58555248
2,2,3,7-tetramethyloct-6-enyl acetate
CID 155155943
2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial
CID 10823036
2-ethyl-2,3,7-trimethyloct-6-enal
CID 54472042
2-(1-hydroxyethyl)-6-methylhept-5-enoic acid
CID 54182717
2,7-dimethyldec-2-ene
CID 123304905
3-hydroxy-2,2-bis(hydroxymethyl)-8,12,16,20-tetramethylhenicosa-7,11,15,19-tetraenoic acid
CID 154445294
4,5,9-trimethyldeca-3,8-dienoic acid
CID 175438930

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid?
The IUPAC name of (2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid (CID 87232686) is (2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid.
What is the SMILES notation for (2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid?
The canonical SMILES for (2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid is C=C(C)[C@@](C)(C(=O)O)[C@@H](C)CCCC=C(C)C.
What is the InChIKey of (2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid?
The InChIKey is JLLPZNWMUMCYDD-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)9-7-8-10-13(5)15(6,12(3)4)14(16)17/h9,13H,3,7-8,10H2,1-2,4-6H3,(H,16,17)/t13-,15+/m0/s1.
What are the key properties of (2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid?
(2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3,8-trimethyl-2-prop-1-en-2-ylnon-7-enoic acid is sourced from PubChem (CID 87232686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).