10-methoxy-2,2,10-trimethylundecane-1,6-diol

C15H32O3 — CID 88879135

IUPAC10-methoxy-2,2,10-trimethylundecane-1,6-diol
SMILESCOC(C)(C)CCCC(O)CCCC(C)(C)CO
InChIInChI=1S/C15H32O3/c1-14(2,12-16)10-6-8-13(17)9-7-11-15(3,4)18-5/h13,16-17H,6-12H2,1-5H3
InChIKeyJCXPYPJIVNDLTC-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.13
Rot. Bonds10

About 10-methoxy-2,2,10-trimethylundecane-1,6-diol

10-methoxy-2,2,10-trimethylundecane-1,6-diol (PubChem CID 88879135) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 10-methoxy-2,2,10-trimethylundecane-1,6-diol.

Molecular Properties

Compound Name10-methoxy-2,2,10-trimethylundecane-1,6-diol
PubChem CID88879135
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name10-methoxy-2,2,10-trimethylundecane-1,6-diol
SMILESCOC(C)(C)CCCC(O)CCCC(C)(C)CO
InChIInChI=1S/C15H32O3/c1-14(2,12-16)10-6-8-13(17)9-7-11-15(3,4)18-5/h13,16-17H,6-12H2,1-5H3
InChIKeyJCXPYPJIVNDLTC-UHFFFAOYSA-N
XLogP3.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 159939869
7-hydroxy-12-methoxy-2,2,12-trimethyltridecanal
CID 58097527
5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
CID 106144667
7-methoxy-7-methyloctan-1-ol
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3,3,15,15-tetramethylheptadecane-1,9,17-triol
CID 59660187
methyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate
CID 100975310
2-[2,2,13,13-tetramethyl-14-(oxan-2-yloxy)tetradecoxy]oxane;2,2,13,13-tetramethyltetradecane-1,6,9,14-tetrol
CID 159010066
5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
CID 106122501
10-methoxy-2,10-dimethylundecanoic acid
CID 138478645
ethyl 6-methoxy-2,6-dimethylheptanoate
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CID 103028153

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-2,2,10-trimethylundecane-1,6-diol?
The IUPAC name of 10-methoxy-2,2,10-trimethylundecane-1,6-diol (CID 88879135) is 10-methoxy-2,2,10-trimethylundecane-1,6-diol.
What is the SMILES notation for 10-methoxy-2,2,10-trimethylundecane-1,6-diol?
The canonical SMILES for 10-methoxy-2,2,10-trimethylundecane-1,6-diol is COC(C)(C)CCCC(O)CCCC(C)(C)CO.
What is the InChIKey of 10-methoxy-2,2,10-trimethylundecane-1,6-diol?
The InChIKey is JCXPYPJIVNDLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-14(2,12-16)10-6-8-13(17)9-7-11-15(3,4)18-5/h13,16-17H,6-12H2,1-5H3.
What are the key properties of 10-methoxy-2,2,10-trimethylundecane-1,6-diol?
10-methoxy-2,2,10-trimethylundecane-1,6-diol has a molecular weight of 260.42 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-2,2,10-trimethylundecane-1,6-diol is sourced from PubChem (CID 88879135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).