(E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid

C14H26O3 — CID 6476237

IUPAC(E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid
SMILESCCC(C/C(C)=C/CC[C@H](C)CCO)C(=O)O
InChIInChI=1S/C14H26O3/c1-4-13(14(16)17)10-12(3)7-5-6-11(2)8-9-15/h7,11,13,15H,4-6,8-10H2,1-3H3,(H,16,17)/b12-7+/t11-,13?/m0/s1
InChIKeyCCWZWHBKGLYVSP-OHCHRBMHSA-N
MW242.36 g/mol
LogP3.23
Rot. Bonds9

About (E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid

(E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid (PubChem CID 6476237) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid.

Molecular Properties

Compound Name(E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid
PubChem CID6476237
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid
SMILESCCC(C/C(C)=C/CC[C@H](C)CCO)C(=O)O
InChIInChI=1S/C14H26O3/c1-4-13(14(16)17)10-12(3)7-5-6-11(2)8-9-15/h7,11,13,15H,4-6,8-10H2,1-3H3,(H,16,17)/b12-7+/t11-,13?/m0/s1
InChIKeyCCWZWHBKGLYVSP-OHCHRBMHSA-N
XLogP3.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.23
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 (E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid?
The IUPAC name of (E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid (CID 6476237) is (E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid.
What is the SMILES notation for (E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid?
The canonical SMILES for (E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid is CCC(C/C(C)=C/CC[C@H](C)CCO)C(=O)O.
What is the InChIKey of (E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid?
The InChIKey is CCWZWHBKGLYVSP-OHCHRBMHSA-N. The full InChI is InChI=1S/C14H26O3/c1-4-13(14(16)17)10-12(3)7-5-6-11(2)8-9-15/h7,11,13,15H,4-6,8-10H2,1-3H3,(H,16,17)/b12-7+/t11-,13?/m0/s1.
What are the key properties of (E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid?
(E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid has a molecular weight of 242.36 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid is sourced from PubChem (CID 6476237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).