[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate

C24H28O2 — CID 174946397

IUPAC[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate
SMILESC=C(c1ccc(OC=O)cc1)c1cc(C)cc2c1C(C)(C)CCC2(C)C
InChIInChI=1S/C24H28O2/c1-16-13-20(17(2)18-7-9-19(10-8-18)26-15-25)22-21(14-16)23(3,4)11-12-24(22,5)6/h7-10,13-15H,2,11-12H2,1,3-6H3
InChIKeyFAMWMRWRHRHMFC-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.94
Rot. Bonds4

About [4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate

[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate (PubChem CID 174946397) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is [4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate.

Molecular Properties

Compound Name[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate
PubChem CID174946397
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate
SMILESC=C(c1ccc(OC=O)cc1)c1cc(C)cc2c1C(C)(C)CCC2(C)C
InChIInChI=1S/C24H28O2/c1-16-13-20(17(2)18-7-9-19(10-8-18)26-15-25)22-21(14-16)23(3,4)11-12-24(22,5)6/h7-10,13-15H,2,11-12H2,1,3-6H3
InChIKeyFAMWMRWRHRHMFC-UHFFFAOYSA-N
XLogP5.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5,5,8,8-tetramethyl-3-[1-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-ol
CID 69479943
6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene
CID 69480296
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl](11C)benzoic acid
CID 170653108
(4-prop-1-en-2-ylphenyl) formate
CID 89249503
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzenesulfonic acid
CID 118343110
(4-aminophenyl) 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
CID 20707155
3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzaldehyde
CID 21185927
N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
CID 90348625
(E)-3-[3-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]prop-2-enoic acid
CID 21185962
2,2-dimethyl-5-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1,3-dioxane-4,6-dione
CID 91334937
methyl 4-[1-(3-chloro-5,5-dimethylspiro[6,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)ethenyl]benzoate
CID 152899040
5-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyridine-2-carboxylic acid
CID 10269289

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate?
The IUPAC name of [4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate (CID 174946397) is [4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate.
What is the SMILES notation for [4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate?
The canonical SMILES for [4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate is C=C(c1ccc(OC=O)cc1)c1cc(C)cc2c1C(C)(C)CCC2(C)C.
What is the InChIKey of [4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate?
The InChIKey is FAMWMRWRHRHMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-16-13-20(17(2)18-7-9-19(10-8-18)26-15-25)22-21(14-16)23(3,4)11-12-24(22,5)6/h7-10,13-15H,2,11-12H2,1,3-6H3.
What are the key properties of [4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate?
[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate has a molecular weight of 348.49 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)ethenyl]phenyl] formate is sourced from PubChem (CID 174946397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).