(E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid

C15H28O3 — CID 6476238

IUPAC(E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid
SMILESCCCC(C/C(C)=C/CC[C@H](C)CCO)C(=O)O
InChIInChI=1S/C15H28O3/c1-4-6-14(15(17)18)11-13(3)8-5-7-12(2)9-10-16/h8,12,14,16H,4-7,9-11H2,1-3H3,(H,17,18)/b13-8+/t12-,14?/m0/s1
InChIKeySAKUYGZHXDWWPO-QKDRUJQGSA-N
MW256.39 g/mol
LogP3.62
Rot. Bonds10

About (E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid

(E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid (PubChem CID 6476238) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid.

Molecular Properties

Compound Name(E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid
PubChem CID6476238
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid
SMILESCCCC(C/C(C)=C/CC[C@H](C)CCO)C(=O)O
InChIInChI=1S/C15H28O3/c1-4-6-14(15(17)18)11-13(3)8-5-7-12(2)9-10-16/h8,12,14,16H,4-7,9-11H2,1-3H3,(H,17,18)/b13-8+/t12-,14?/m0/s1
InChIKeySAKUYGZHXDWWPO-QKDRUJQGSA-N
XLogP3.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.62
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)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid?
The IUPAC name of (E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid (CID 6476238) is (E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid.
What is the SMILES notation for (E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid?
The canonical SMILES for (E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid is CCCC(C/C(C)=C/CC[C@H](C)CCO)C(=O)O.
What is the InChIKey of (E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid?
The InChIKey is SAKUYGZHXDWWPO-QKDRUJQGSA-N. The full InChI is InChI=1S/C15H28O3/c1-4-6-14(15(17)18)11-13(3)8-5-7-12(2)9-10-16/h8,12,14,16H,4-7,9-11H2,1-3H3,(H,17,18)/b13-8+/t12-,14?/m0/s1.
What are the key properties of (E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid?
(E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid has a molecular weight of 256.39 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,8S)-10-hydroxy-4,8-dimethyl-2-propyldec-4-enoic acid is sourced from PubChem (CID 6476238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).