(5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane

C15H30O2 — CID 15652071

IUPAC(5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane
SMILESC=C[C@H](CCCC)[C@@H](CCCCC)OCOC
InChIInChI=1S/C15H30O2/c1-5-8-10-12-15(17-13-16-4)14(7-3)11-9-6-2/h7,14-15H,3,5-6,8-13H2,1-2,4H3/t14-,15-/m1/s1
InChIKeyKKYUDIZUVQXJJY-HUUCEWRRSA-N
MW242.40 g/mol
LogP4.55
Rot. Bonds12

About (5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane

(5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane (PubChem CID 15652071) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane.

Molecular Properties

Compound Name(5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane
PubChem CID15652071
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane
SMILESC=C[C@H](CCCC)[C@@H](CCCCC)OCOC
InChIInChI=1S/C15H30O2/c1-5-8-10-12-15(17-13-16-4)14(7-3)11-9-6-2/h7,14-15H,3,5-6,8-13H2,1-2,4H3/t14-,15-/m1/s1
InChIKeyKKYUDIZUVQXJJY-HUUCEWRRSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane 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 (5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane?
The IUPAC name of (5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane (CID 15652071) is (5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane.
What is the SMILES notation for (5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane?
The canonical SMILES for (5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane is C=C[C@H](CCCC)[C@@H](CCCCC)OCOC.
What is the InChIKey of (5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane?
The InChIKey is KKYUDIZUVQXJJY-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-8-10-12-15(17-13-16-4)14(7-3)11-9-6-2/h7,14-15H,3,5-6,8-13H2,1-2,4H3/t14-,15-/m1/s1.
What are the key properties of (5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane?
(5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane has a molecular weight of 242.40 g/mol, XLogP of 4.55, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane is sourced from PubChem (CID 15652071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).