2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene]

C27H30 — CID 145291947

IUPAC2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene]
SMILESC=CC1=C(CCC)c2ccccc2C12C(C)=C(C)C(C)(C)c1ccccc12
InChIInChI=1S/C27H30/c1-7-13-20-21-14-9-10-15-23(21)27(22(20)8-2)19(4)18(3)26(5,6)24-16-11-12-17-25(24)27/h8-12,14-17H,2,7,13H2,1,3-6H3
InChIKeySBRMHXQWVPEXIE-UHFFFAOYSA-N
MW354.54 g/mol
LogP7.35
Rot. Bonds3

About 2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene]

2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene] (PubChem CID 145291947) has the molecular formula C27H30 and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene].

Molecular Properties

Compound Name2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene]
PubChem CID145291947
Molecular FormulaC27H30
Molecular Weight354.54 g/mol
Exact Mass354.23
IUPAC Name2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene]
SMILESC=CC1=C(CCC)c2ccccc2C12C(C)=C(C)C(C)(C)c1ccccc12
InChIInChI=1S/C27H30/c1-7-13-20-21-14-9-10-15-23(21)27(22(20)8-2)19(4)18(3)26(5,6)24-16-11-12-17-25(24)27/h8-12,14-17H,2,7,13H2,1,3-6H3
InChIKeySBRMHXQWVPEXIE-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 57.35
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

2,3-bis(ethenyl)-1,1-dimethylindene
CID 123900265
2-ethenyl-3-methyl-1,1-diphenylindene
CID 142104314
9,9-diphenylfluorene;propane
CID 158205050
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
buta-1,2-diene;but-1-ene;2-ethenyl-1,1,3-trimethylindene;propane
CID 143060351
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
2,3-bis(ethenyl)-1,1-diethylindene
CID 145133718
1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one
CID 132604356
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine
CID 142481330
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene]?
The IUPAC name of 2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene] (CID 145291947) is 2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene].
What is the SMILES notation for 2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene]?
The canonical SMILES for 2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene] is C=CC1=C(CCC)c2ccccc2C12C(C)=C(C)C(C)(C)c1ccccc12.
What is the InChIKey of 2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene]?
The InChIKey is SBRMHXQWVPEXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30/c1-7-13-20-21-14-9-10-15-23(21)27(22(20)8-2)19(4)18(3)26(5,6)24-16-11-12-17-25(24)27/h8-12,14-17H,2,7,13H2,1,3-6H3.
What are the key properties of 2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene]?
2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene] has a molecular weight of 354.54 g/mol, XLogP of 7.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene] is sourced from PubChem (CID 145291947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).