1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene

C24H36O2 — CID 68743422

IUPAC1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene
SMILESCOc1cc(C(C)(C)C)c(OC)c(C(C)(C)C2=CC=C(C(C)(C)C)C2)c1
InChIInChI=1S/C24H36O2/c1-22(2,3)16-11-12-17(13-16)24(7,8)20-15-18(25-9)14-19(21(20)26-10)23(4,5)6/h11-12,14-15H,13H2,1-10H3
InChIKeyHMXCPDCIGVKVDT-UHFFFAOYSA-N
MW356.55 g/mol
LogP6.58
Rot. Bonds4

About 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene

1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene (PubChem CID 68743422) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene
PubChem CID68743422
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Name1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene
SMILESCOc1cc(C(C)(C)C)c(OC)c(C(C)(C)C2=CC=C(C(C)(C)C)C2)c1
InChIInChI=1S/C24H36O2/c1-22(2,3)16-11-12-17(13-16)24(7,8)20-15-18(25-9)14-19(21(20)26-10)23(4,5)6/h11-12,14-15H,13H2,1-10H3
InChIKeyHMXCPDCIGVKVDT-UHFFFAOYSA-N
XLogP6.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-5-methylbenzene
CID 68742471
1-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2-methoxy-3-phenylbenzene
CID 68742506
1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117470953
(3,5-ditert-butyl-4-methoxyphenyl)boronic acid
CID 74891306
2,6-ditert-butyl-4-methoxyphenol
CID 10269
1-tert-butyl-2,3-dichloro-5-methoxybenzene
CID 121288639
N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117351391
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959
1-tert-butyl-2,5-dimethoxy-3-[2-(3-methylcyclopenta-1,3-dien-1-yl)ethyl]benzene
CID 139965018
(3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane
CID 139965190
7-tert-butyl-15,17,18-trimethoxytricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaene-3,11-dione
CID 15249086
(3,5-ditert-butyl-4-methoxyphenyl)-methylsilane
CID 123380319

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene?
The IUPAC name of 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene (CID 68743422) is 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene.
What is the SMILES notation for 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene?
The canonical SMILES for 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene is COc1cc(C(C)(C)C)c(OC)c(C(C)(C)C2=CC=C(C(C)(C)C)C2)c1.
What is the InChIKey of 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene?
The InChIKey is HMXCPDCIGVKVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2/c1-22(2,3)16-11-12-17(13-16)24(7,8)20-15-18(25-9)14-19(21(20)26-10)23(4,5)6/h11-12,14-15H,13H2,1-10H3.
What are the key properties of 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene?
1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene has a molecular weight of 356.55 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(4-tert-butylcyclopenta-1,3-dien-1-yl)propan-2-yl]-2,5-dimethoxybenzene is sourced from PubChem (CID 68743422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).