(6R)-6-methoxy-2,2,12-trimethyltridecane

C17H36O — CID 118887775

IUPAC(6R)-6-methoxy-2,2,12-trimethyltridecane
SMILESCO[C@H](CCCCCC(C)C)CCCC(C)(C)C
InChIInChI=1S/C17H36O/c1-15(2)11-8-7-9-12-16(18-6)13-10-14-17(3,4)5/h15-16H,7-14H2,1-6H3/t16-/m1/s1
InChIKeyAPJMNEXFVDOXHH-MRXNPFEDSA-N
MW256.47 g/mol
LogP5.82
Rot. Bonds10

About (6R)-6-methoxy-2,2,12-trimethyltridecane

(6R)-6-methoxy-2,2,12-trimethyltridecane (PubChem CID 118887775) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is (6R)-6-methoxy-2,2,12-trimethyltridecane.

Molecular Properties

Compound Name(6R)-6-methoxy-2,2,12-trimethyltridecane
PubChem CID118887775
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name(6R)-6-methoxy-2,2,12-trimethyltridecane
SMILESCO[C@H](CCCCCC(C)C)CCCC(C)(C)C
InChIInChI=1S/C17H36O/c1-15(2)11-8-7-9-12-16(18-6)13-10-14-17(3,4)5/h15-16H,7-14H2,1-6H3/t16-/m1/s1
InChIKeyAPJMNEXFVDOXHH-MRXNPFEDSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.82
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

(4S)-4-methoxy-8,8-dimethylnonan-1-ol
CID 118887633
(6S)-N,N-diethyl-6-methoxy-10,10-dimethylundecan-1-amine
CID 118887783
2,2,7,13-tetramethyltetradecane
CID 164934007
(7R)-7-methoxy-2-methylundecane
CID 118890177
1-(3,3-dimethylbutoxy)-17-methyloctadecane;1-(4,4-dimethylpentoxy)-15-methylhexadecane
CID 161487633
1-[(6R)-6-methoxy-10,10-dimethylundecyl]piperazine
CID 118887793
6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923
1-[(5R)-5-methoxy-9,9-dimethyldecyl]-4-methylpiperazine
CID 118887718
calcium;7,7-dimethyloctanoate;7-methyloctanoate
CID 56843801
cobalt;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 170845954
cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid
CID 170845955
cerium;bis(7,7-dimethyloctanoic acid);8-methylnonanoic acid
CID 170846310

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methoxy-2,2,12-trimethyltridecane?
The IUPAC name of (6R)-6-methoxy-2,2,12-trimethyltridecane (CID 118887775) is (6R)-6-methoxy-2,2,12-trimethyltridecane.
What is the SMILES notation for (6R)-6-methoxy-2,2,12-trimethyltridecane?
The canonical SMILES for (6R)-6-methoxy-2,2,12-trimethyltridecane is CO[C@H](CCCCCC(C)C)CCCC(C)(C)C.
What is the InChIKey of (6R)-6-methoxy-2,2,12-trimethyltridecane?
The InChIKey is APJMNEXFVDOXHH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H36O/c1-15(2)11-8-7-9-12-16(18-6)13-10-14-17(3,4)5/h15-16H,7-14H2,1-6H3/t16-/m1/s1.
What are the key properties of (6R)-6-methoxy-2,2,12-trimethyltridecane?
(6R)-6-methoxy-2,2,12-trimethyltridecane has a molecular weight of 256.47 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methoxy-2,2,12-trimethyltridecane is sourced from PubChem (CID 118887775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).