ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine

C34H58NO3P — CID 159197768

IUPACethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
SMILESCC.CC.CC(C)(C)c1cc(C(C)(C)C)c2op(OCCN)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C30H46NO3P.2C2H6/c1-27(2,3)19-15-21-22-16-20(28(4,5)6)18-24(30(10,11)12)26(22)34-35(32-14-13-31)33-25(21)23(17-19)29(7,8)9;2*1-2/h15-18H,13-14,31H2,1-12H3;2*1-2H3
InChIKeyKOWQJHVAIMHHOA-UHFFFAOYSA-N
MW559.82 g/mol
LogP10.92
Rot. Bonds3

About ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine

ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine (PubChem CID 159197768) has the molecular formula C34H58NO3P and a molecular weight of 559.82 g/mol. Its IUPAC name is ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine.

Molecular Properties

Compound Nameethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
PubChem CID159197768
Molecular FormulaC34H58NO3P
Molecular Weight559.82 g/mol
Exact Mass559.42
IUPAC Nameethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
SMILESCC.CC.CC(C)(C)c1cc(C(C)(C)C)c2op(OCCN)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C30H46NO3P.2C2H6/c1-27(2,3)19-15-21-22-16-20(28(4,5)6)18-24(30(10,11)12)26(22)34-35(32-14-13-31)33-25(21)23(17-19)29(7,8)9;2*1-2/h15-18H,13-14,31H2,1-12H3;2*1-2H3
InChIKeyKOWQJHVAIMHHOA-UHFFFAOYSA-N
XLogP10.92
TPSA61.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.82
LogP ≤ 510.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
CID 159117358
2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 11136318
2,4,8,10-tetratert-butyl-6-[(2R,3S,4S,5R)-2,5-dimethyl-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 101435797
2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl 3-(3-tert-butyl-4-methoxy-5-methylphenyl)propanoate
CID 139758292
(1S)-N,N-dimethyl-1-phenyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
CID 132605643
2,4,8,10-tetratert-butyl-6-[(4S,9R)-4-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyspiro[4.4]nonan-9-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 100921762
1-[(2S)-3-methyl-1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxybutan-2-yl]-3-phenylurea
CID 102597386
2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol;tris(2,4-ditert-butylphenyl) phosphite
CID 157098725
2,4,8,10-tetratert-butyl-6-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 67781945
2,4,8,10-tetratert-butyl-6-[2,7,9,9-tetramethyl-5-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyxanthen-4-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 11366860
2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenol
CID 139721800
2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[[(4R,5S)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 171748744

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine?
The IUPAC name of ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine (CID 159197768) is ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine.
What is the SMILES notation for ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine?
The canonical SMILES for ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine is CC.CC.CC(C)(C)c1cc(C(C)(C)C)c2op(OCCN)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1.
What is the InChIKey of ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine?
The InChIKey is KOWQJHVAIMHHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46NO3P.2C2H6/c1-27(2,3)19-15-21-22-16-20(28(4,5)6)18-24(30(10,11)12)26(22)34-35(32-14-13-31)33-25(21)23(17-19)29(7,8)9;2*1-2/h15-18H,13-14,31H2,1-12H3;2*1-2H3.
What are the key properties of ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine?
ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine has a molecular weight of 559.82 g/mol, XLogP of 10.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine is sourced from PubChem (CID 159197768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).