2,2,3,3,4,4-hexabutylchromene

C33H58O — CID 151192967

IUPAC2,2,3,3,4,4-hexabutylchromene
SMILESCCCCC1(CCCC)Oc2ccccc2C(CCCC)(CCCC)C1(CCCC)CCCC
InChIInChI=1S/C33H58O/c1-7-13-23-31(24-14-8-2)29-21-19-20-22-30(29)34-33(27-17-11-5,28-18-12-6)32(31,25-15-9-3)26-16-10-4/h19-22H,7-18,23-28H2,1-6H3
InChIKeyNGRYZNJSRLHWMC-UHFFFAOYSA-N
MW470.83 g/mol
LogP11.18
Rot. Bonds18

About 2,2,3,3,4,4-hexabutylchromene

2,2,3,3,4,4-hexabutylchromene (PubChem CID 151192967) has the molecular formula C33H58O and a molecular weight of 470.83 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexabutylchromene.

Molecular Properties

Compound Name2,2,3,3,4,4-hexabutylchromene
PubChem CID151192967
Molecular FormulaC33H58O
Molecular Weight470.83 g/mol
Exact Mass470.45
IUPAC Name2,2,3,3,4,4-hexabutylchromene
SMILESCCCCC1(CCCC)Oc2ccccc2C(CCCC)(CCCC)C1(CCCC)CCCC
InChIInChI=1S/C33H58O/c1-7-13-23-31(24-14-8-2)29-21-19-20-22-30(29)34-33(27-17-11-5,28-18-12-6)32(31,25-15-9-3)26-16-10-4/h19-22H,7-18,23-28H2,1-6H3
InChIKeyNGRYZNJSRLHWMC-UHFFFAOYSA-N
XLogP11.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.83
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3Z)-1-butyl-3-butylidene-1-phenyl-2-benzofuran
CID 50930716
(4-butyl-2,3-dihydrochromen-4-yl)methanamine
CID 65407498
4-methyl-4-pentyl-3H-chromen-2-one
CID 13229905
4-butyl-4-phenyl-2,3-dihydrochromene
CID 5169021
9,9-dibutyl-10H-acridine
CID 22754314
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
9,9-diethylxanthene
CID 22447430
3-decyl-3-methyl-2-benzofuran-1-one
CID 139663911

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexabutylchromene?
The IUPAC name of 2,2,3,3,4,4-hexabutylchromene (CID 151192967) is 2,2,3,3,4,4-hexabutylchromene.
What is the SMILES notation for 2,2,3,3,4,4-hexabutylchromene?
The canonical SMILES for 2,2,3,3,4,4-hexabutylchromene is CCCCC1(CCCC)Oc2ccccc2C(CCCC)(CCCC)C1(CCCC)CCCC.
What is the InChIKey of 2,2,3,3,4,4-hexabutylchromene?
The InChIKey is NGRYZNJSRLHWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58O/c1-7-13-23-31(24-14-8-2)29-21-19-20-22-30(29)34-33(27-17-11-5,28-18-12-6)32(31,25-15-9-3)26-16-10-4/h19-22H,7-18,23-28H2,1-6H3.
What are the key properties of 2,2,3,3,4,4-hexabutylchromene?
2,2,3,3,4,4-hexabutylchromene has a molecular weight of 470.83 g/mol, XLogP of 11.18, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexabutylchromene is sourced from PubChem (CID 151192967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).