1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene]

C25H32 — CID 11624124

IUPAC1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene]
SMILESC=CCC1C=Cc2ccccc2C12C(CC)=C(CC)C(CC)=C2CC
InChIInChI=1S/C25H32/c1-6-13-19-17-16-18-14-11-12-15-24(18)25(19)22(9-4)20(7-2)21(8-3)23(25)10-5/h6,11-12,14-17,19H,1,7-10,13H2,2-5H3
InChIKeyRJURTWLADDLBKP-UHFFFAOYSA-N
MW332.53 g/mol
LogP7.39
Rot. Bonds6

About 1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene]

1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene] (PubChem CID 11624124) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is 1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene].

Molecular Properties

Compound Name1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene]
PubChem CID11624124
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Name1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene]
SMILESC=CCC1C=Cc2ccccc2C12C(CC)=C(CC)C(CC)=C2CC
InChIInChI=1S/C25H32/c1-6-13-19-17-16-18-14-11-12-15-24(18)25(19)22(9-4)20(7-2)21(8-3)23(25)10-5/h6,11-12,14-17,19H,1,7-10,13H2,2-5H3
InChIKeyRJURTWLADDLBKP-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 11138116
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CID 18626557
(8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane
CID 144857232
(1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate
CID 149436808
1-prop-2-enoxy-1H-indene
CID 166691848
8-bromo-2-prop-2-enyl-2H-chromene
CID 122231139
1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine
CID 176895478
7b-methyl-1,1a-dihydrocyclopropa[a]naphthalene
CID 142093034
ethenol;3-methyl-2-prop-2-enyl-3-propyl-1,2-dihydroindole
CID 143815298
1-ethenyl-1H-indene;titanium(2+);dichloride
CID 86754272
(1R)-1-(2-nitroethyl)-1-prop-2-enylnaphthalen-2-one
CID 132566318

Frequently Asked Questions

What is the IUPAC name of 1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene]?
The IUPAC name of 1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene] (CID 11624124) is 1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene].
What is the SMILES notation for 1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene]?
The canonical SMILES for 1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene] is C=CCC1C=Cc2ccccc2C12C(CC)=C(CC)C(CC)=C2CC.
What is the InChIKey of 1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene]?
The InChIKey is RJURTWLADDLBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32/c1-6-13-19-17-16-18-14-11-12-15-24(18)25(19)22(9-4)20(7-2)21(8-3)23(25)10-5/h6,11-12,14-17,19H,1,7-10,13H2,2-5H3.
What are the key properties of 1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene]?
1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene] has a molecular weight of 332.53 g/mol, XLogP of 7.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene] is sourced from PubChem (CID 11624124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).