(E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one

C16H28O4 — CID 101192894

IUPAC(E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one
SMILESCC(=O)[C@@H](O)C/C=C/CCC[C@H](C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C16H28O4/c1-12(15-11-19-16(3,4)20-15)9-7-5-6-8-10-14(18)13(2)17/h6,8,12,14-15,18H,5,7,9-11H2,1-4H3/b8-6+/t12-,14-,15-/m0/s1
InChIKeyNOYQCBIHYNHYCP-PSDCYKOWSA-N
MW284.40 g/mol
LogP2.84
Rot. Bonds8

About (E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one

(E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one (PubChem CID 101192894) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is (E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one.

Molecular Properties

Compound Name(E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one
PubChem CID101192894
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name(E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one
SMILESCC(=O)[C@@H](O)C/C=C/CCC[C@H](C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C16H28O4/c1-12(15-11-19-16(3,4)20-15)9-7-5-6-8-10-14(18)13(2)17/h6,8,12,14-15,18H,5,7,9-11H2,1-4H3/b8-6+/t12-,14-,15-/m0/s1
InChIKeyNOYQCBIHYNHYCP-PSDCYKOWSA-N
XLogP2.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one 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

(E,5R,10R)-11-(1,3-dioxolan-2-yl)-5-hydroxy-2,6,10-trimethylundec-6-en-4-one
CID 134929618
(Z,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)undec-5-en-2-one
CID 11045703
(Z,3S,10S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-en-2-one
CID 11280981
(E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)undec-5-en-2-one
CID 102123361

Frequently Asked Questions

What is the IUPAC name of (E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one?
The IUPAC name of (E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one (CID 101192894) is (E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one.
What is the SMILES notation for (E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one?
The canonical SMILES for (E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one is CC(=O)[C@@H](O)C/C=C/CCC[C@H](C)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one?
The InChIKey is NOYQCBIHYNHYCP-PSDCYKOWSA-N. The full InChI is InChI=1S/C16H28O4/c1-12(15-11-19-16(3,4)20-15)9-7-5-6-8-10-14(18)13(2)17/h6,8,12,14-15,18H,5,7,9-11H2,1-4H3/b8-6+/t12-,14-,15-/m0/s1.
What are the key properties of (E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one?
(E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one has a molecular weight of 284.40 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,10S)-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyundec-5-en-2-one is sourced from PubChem (CID 101192894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).