7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol

C25H42O2 — CID 91744212

IUPAC7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol
SMILESCC(C)CCCC(C)CCCC1(C)CCc2cc(O)c(C(C)(C)C)cc2O1
InChIInChI=1S/C25H42O2/c1-18(2)10-8-11-19(3)12-9-14-25(7)15-13-20-16-22(26)21(24(4,5)6)17-23(20)27-25/h16-19,26H,8-15H2,1-7H3
InChIKeyPGXFMLRXRZKUEX-UHFFFAOYSA-N
MW374.61 g/mol
LogP7.41
Rot. Bonds8

About 7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol

7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol (PubChem CID 91744212) has the molecular formula C25H42O2 and a molecular weight of 374.61 g/mol. Its IUPAC name is 7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol
PubChem CID91744212
Molecular FormulaC25H42O2
Molecular Weight374.61 g/mol
Exact Mass374.32
IUPAC Name7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol
SMILESCC(C)CCCC(C)CCCC1(C)CCc2cc(O)c(C(C)(C)C)cc2O1
InChIInChI=1S/C25H42O2/c1-18(2)10-8-11-19(3)12-9-14-25(7)15-13-20-16-22(26)21(24(4,5)6)17-23(20)27-25/h16-19,26H,8-15H2,1-7H3
InChIKeyPGXFMLRXRZKUEX-UHFFFAOYSA-N
XLogP7.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2,7,8-trimethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 53393643
N-[4-[2-[2-(4,8-dimethylnonyl)-6-hydroxy-2-methyl-3,4-dihydrochromen-7-yl]ethyl]phenyl]-2,2,2-trifluoroacetamide
CID 91704061
phosphoric acid;(2R)-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 174558710
ethane;prop-1-ene;2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 155713412
disodium;[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] phosphate
CID 66561808
[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 2-amino-3-hydroxybenzoate
CID 11432441
7-[[2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-yl]oxy]heptanoic acid
CID 59545061
5-(4,8-dimethylnonyl)-5-methyloxolan-2-one
CID 567139
2-[8,12-dimethyl-4-(trifluoromethyl)tridecyl]-2,5,8-trimethyl-3,4-dihydrochromen-6-ol
CID 10457449
(7-tert-butyl-6-hydroxy-2-methyl-3,4-dihydrochromen-2-yl) formate
CID 57022346
CID 101027078
CID 101027078
(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene-6-carbonitrile
CID 138534201

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol (CID 91744212) is 7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol is CC(C)CCCC(C)CCCC1(C)CCc2cc(O)c(C(C)(C)C)cc2O1.
What is the InChIKey of 7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol?
The InChIKey is PGXFMLRXRZKUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O2/c1-18(2)10-8-11-19(3)12-9-14-25(7)15-13-20-16-22(26)21(24(4,5)6)17-23(20)27-25/h16-19,26H,8-15H2,1-7H3.
What are the key properties of 7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol?
7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol has a molecular weight of 374.61 g/mol, XLogP of 7.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-(4,8-dimethylnonyl)-2-methyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 91744212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).