[(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate

C16H30O3 — CID 11086840

IUPAC[(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate
SMILESCCC/C=C/[C@@H](O)CCCC(C)OC(=O)C(C)(C)C
InChIInChI=1S/C16H30O3/c1-6-7-8-11-14(17)12-9-10-13(2)19-15(18)16(3,4)5/h8,11,13-14,17H,6-7,9-10,12H2,1-5H3/b11-8+/t13?,14-/m1/s1
InChIKeyYSRRVGAGUXVGIO-KOMLVPGASA-N
MW270.41 g/mol
LogP3.85
Rot. Bonds8

About [(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate

[(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate (PubChem CID 11086840) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is [(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate
PubChem CID11086840
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name[(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate
SMILESCCC/C=C/[C@@H](O)CCCC(C)OC(=O)C(C)(C)C
InChIInChI=1S/C16H30O3/c1-6-7-8-11-14(17)12-9-10-13(2)19-15(18)16(3,4)5/h8,11,13-14,17H,6-7,9-10,12H2,1-5H3/b11-8+/t13?,14-/m1/s1
InChIKeyYSRRVGAGUXVGIO-KOMLVPGASA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate (CID 11086840) is [(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate is CCC/C=C/[C@@H](O)CCCC(C)OC(=O)C(C)(C)C.
What is the InChIKey of [(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate?
The InChIKey is YSRRVGAGUXVGIO-KOMLVPGASA-N. The full InChI is InChI=1S/C16H30O3/c1-6-7-8-11-14(17)12-9-10-13(2)19-15(18)16(3,4)5/h8,11,13-14,17H,6-7,9-10,12H2,1-5H3/b11-8+/t13?,14-/m1/s1.
What are the key properties of [(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate?
[(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate has a molecular weight of 270.41 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,6S)-6-hydroxyundec-7-en-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11086840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).