(7R)-7-methoxy-2-methylundecane

C13H28O — CID 118890177

IUPAC(7R)-7-methoxy-2-methylundecane
SMILESCCCC[C@H](CCCCC(C)C)OC
InChIInChI=1S/C13H28O/c1-5-6-10-13(14-4)11-8-7-9-12(2)3/h12-13H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyIHCKFGIKBYDMBU-CYBMUJFWSA-N
MW200.37 g/mol
LogP4.41
Rot. Bonds9

About (7R)-7-methoxy-2-methylundecane

(7R)-7-methoxy-2-methylundecane (PubChem CID 118890177) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is (7R)-7-methoxy-2-methylundecane.

Molecular Properties

Compound Name(7R)-7-methoxy-2-methylundecane
PubChem CID118890177
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name(7R)-7-methoxy-2-methylundecane
SMILESCCCC[C@H](CCCCC(C)C)OC
InChIInChI=1S/C13H28O/c1-5-6-10-13(14-4)11-8-7-9-12(2)3/h12-13H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyIHCKFGIKBYDMBU-CYBMUJFWSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methoxyundecane
CID 118889956
4-methoxy-2-methyltridecane
CID 150137637
2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630
ethane;hexane;2-methylhexane
CID 142051007
cobalt;2-methylheptane
CID 175521472
ethane;2-methylhexane;propane
CID 144516512
2-methylpentaoctacontane
CID 90745672
bis(2-methylheptane);propane
CID 158714851
mercury;2-methylheptane
CID 175108338
2-methyltetratriacontane
CID 14275207

Frequently Asked Questions

What is the IUPAC name of (7R)-7-methoxy-2-methylundecane?
The IUPAC name of (7R)-7-methoxy-2-methylundecane (CID 118890177) is (7R)-7-methoxy-2-methylundecane.
What is the SMILES notation for (7R)-7-methoxy-2-methylundecane?
The canonical SMILES for (7R)-7-methoxy-2-methylundecane is CCCC[C@H](CCCCC(C)C)OC.
What is the InChIKey of (7R)-7-methoxy-2-methylundecane?
The InChIKey is IHCKFGIKBYDMBU-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H28O/c1-5-6-10-13(14-4)11-8-7-9-12(2)3/h12-13H,5-11H2,1-4H3/t13-/m1/s1.
What are the key properties of (7R)-7-methoxy-2-methylundecane?
(7R)-7-methoxy-2-methylundecane has a molecular weight of 200.37 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methoxy-2-methylundecane is sourced from PubChem (CID 118890177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).