1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene

C21H36O — CID 130223219

IUPAC1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene
SMILESCC(CCC(C)Oc1cccc(C(C)C)c1)CCC(C)(C)C
InChIInChI=1S/C21H36O/c1-16(2)19-9-8-10-20(15-19)22-18(4)12-11-17(3)13-14-21(5,6)7/h8-10,15-18H,11-14H2,1-7H3
InChIKeyQONWWURGFLJGCL-UHFFFAOYSA-N
MW304.52 g/mol
LogP6.82
Rot. Bonds8

About 1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene

1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene (PubChem CID 130223219) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene.

Molecular Properties

Compound Name1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene
PubChem CID130223219
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Name1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene
SMILESCC(CCC(C)Oc1cccc(C(C)C)c1)CCC(C)(C)C
InChIInChI=1S/C21H36O/c1-16(2)19-9-8-10-20(15-19)22-18(4)12-11-17(3)13-14-21(5,6)7/h8-10,15-18H,11-14H2,1-7H3
InChIKeyQONWWURGFLJGCL-UHFFFAOYSA-N
XLogP6.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 62453840
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CID 62453134
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine
CID 55195324
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572417
(1S)-1-(3-pentan-2-yloxyphenyl)ethanol
CID 107892276
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 62570863
2-methyl-4-(3-propan-2-ylphenoxy)-2-(propylamino)pentanenitrile
CID 64727995
methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate
CID 55793330
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene?
The IUPAC name of 1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene (CID 130223219) is 1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene.
What is the SMILES notation for 1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene?
The canonical SMILES for 1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene is CC(CCC(C)Oc1cccc(C(C)C)c1)CCC(C)(C)C.
What is the InChIKey of 1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene?
The InChIKey is QONWWURGFLJGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O/c1-16(2)19-9-8-10-20(15-19)22-18(4)12-11-17(3)13-14-21(5,6)7/h8-10,15-18H,11-14H2,1-7H3.
What are the key properties of 1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene?
1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene has a molecular weight of 304.52 g/mol, XLogP of 6.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene is sourced from PubChem (CID 130223219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).