(6R)-6-methoxydodec-1-en-7-yne

C13H22O — CID 135042556

IUPAC(6R)-6-methoxydodec-1-en-7-yne
SMILESC=CCCC[C@H](C#CCCCC)OC
InChIInChI=1S/C13H22O/c1-4-6-8-10-12-13(14-3)11-9-7-5-2/h5,13H,2,4,6-9,11H2,1,3H3/t13-/m1/s1
InChIKeyJBPHASRSGLITSB-CYBMUJFWSA-N
MW194.32 g/mol
LogP3.55
Rot. Bonds7

About (6R)-6-methoxydodec-1-en-7-yne

(6R)-6-methoxydodec-1-en-7-yne (PubChem CID 135042556) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (6R)-6-methoxydodec-1-en-7-yne.

Molecular Properties

Compound Name(6R)-6-methoxydodec-1-en-7-yne
PubChem CID135042556
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(6R)-6-methoxydodec-1-en-7-yne
SMILESC=CCCC[C@H](C#CCCCC)OC
InChIInChI=1S/C13H22O/c1-4-6-8-10-12-13(14-3)11-9-7-5-2/h5,13H,2,4,6-9,11H2,1,3H3/t13-/m1/s1
InChIKeyJBPHASRSGLITSB-CYBMUJFWSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6R)-6-methoxydodec-1-en-7-yne 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 (6R)-6-methoxydodec-1-en-7-yne?
The IUPAC name of (6R)-6-methoxydodec-1-en-7-yne (CID 135042556) is (6R)-6-methoxydodec-1-en-7-yne.
What is the SMILES notation for (6R)-6-methoxydodec-1-en-7-yne?
The canonical SMILES for (6R)-6-methoxydodec-1-en-7-yne is C=CCCC[C@H](C#CCCCC)OC.
What is the InChIKey of (6R)-6-methoxydodec-1-en-7-yne?
The InChIKey is JBPHASRSGLITSB-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22O/c1-4-6-8-10-12-13(14-3)11-9-7-5-2/h5,13H,2,4,6-9,11H2,1,3H3/t13-/m1/s1.
What are the key properties of (6R)-6-methoxydodec-1-en-7-yne?
(6R)-6-methoxydodec-1-en-7-yne has a molecular weight of 194.32 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methoxydodec-1-en-7-yne is sourced from PubChem (CID 135042556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).