3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol

C29H52O2 — CID 162459645

IUPAC3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol
SMILESCCc1c(C)c(O)c(C)c(C)c1OC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C29H52O2/c1-10-27-26(9)28(30)24(7)25(8)29(27)31-23(6)19-13-18-22(5)17-12-16-21(4)15-11-14-20(2)3/h20-23,30H,10-19H2,1-9H3/t21-,22-,23?/m1/s1
InChIKeyBBSOEBUMHNCNHE-WELAQSEPSA-N
MW432.73 g/mol
LogP9.09
Rot. Bonds15

About 3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol

3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol (PubChem CID 162459645) has the molecular formula C29H52O2 and a molecular weight of 432.73 g/mol. Its IUPAC name is 3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol.

Molecular Properties

Compound Name3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol
PubChem CID162459645
Molecular FormulaC29H52O2
Molecular Weight432.73 g/mol
Exact Mass432.40
IUPAC Name3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol
SMILESCCc1c(C)c(O)c(C)c(C)c1OC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C29H52O2/c1-10-27-26(9)28(30)24(7)25(8)29(27)31-23(6)19-13-18-22(5)17-12-16-21(4)15-11-14-20(2)3/h20-23,30H,10-19H2,1-9H3/t21-,22-,23?/m1/s1
InChIKeyBBSOEBUMHNCNHE-WELAQSEPSA-N
XLogP9.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.73
LogP ≤ 59.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol with MolForge

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Related Compounds

2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol
CID 166174537
2,3-dimethoxy-5-methyl-6-[(3S,7R,11R)-3,7,11,15-tetramethylhexadecyl]benzene-1,4-diol
CID 162639750
2,3-dimethoxy-5-methyl-6-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol
CID 42626984
2-methyl-3-(3,7,11,15,19,23,27,31,35-nonamethylhexatriacontyl)naphthalene-1,4-diol
CID 657021
2,5,9,13-tetramethyltetradecane
CID 58292409
[4-hydroxy-2,3,6-trimethyl-5-[(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]phenyl] acetate
CID 10434967
2,6-diethyl-3,5-dimethyl-4-propan-2-yloxyphenol
CID 162375100
2,3,4-trimethyl-6-sulfanyl-5-(3,7,11,15-tetramethylhexadec-2-enyl)phenol
CID 54410535
2,3,6,7,10,11-hexakis[(3R)-3,7-dimethyloctoxy]triphenylene
CID 100942085
2,3,6,7,10,11-hexakis(3,7-dimethyloctoxy)triphenylene
CID 11320772
(E)-1-(2,5-dihydroxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadec-2-en-1-one
CID 137412886
2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-diol
CID 5189703

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol?
The IUPAC name of 3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol (CID 162459645) is 3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol.
What is the SMILES notation for 3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol?
The canonical SMILES for 3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol is CCc1c(C)c(O)c(C)c(C)c1OC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of 3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol?
The InChIKey is BBSOEBUMHNCNHE-WELAQSEPSA-N. The full InChI is InChI=1S/C29H52O2/c1-10-27-26(9)28(30)24(7)25(8)29(27)31-23(6)19-13-18-22(5)17-12-16-21(4)15-11-14-20(2)3/h20-23,30H,10-19H2,1-9H3/t21-,22-,23?/m1/s1.
What are the key properties of 3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol?
3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol has a molecular weight of 432.73 g/mol, XLogP of 9.09, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol is sourced from PubChem (CID 162459645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).