1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene

C29H42 — CID 173063942

IUPAC1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene
SMILESCCCC1=C(C2=CCC=C2C2=C(CCC)C(C)=C(C)C2(C)C)C(C)(C)C(C)=C1C
InChIInChI=1S/C29H42/c1-11-14-22-18(3)20(5)28(7,8)26(22)24-16-13-17-25(24)27-23(15-12-2)19(4)21(6)29(27,9)10/h16-17H,11-15H2,1-10H3
InChIKeyVHOHQVJDHSVIEX-UHFFFAOYSA-N
MW390.66 g/mol
LogP9.19
Rot. Bonds6

About 1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene

1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene (PubChem CID 173063942) has the molecular formula C29H42 and a molecular weight of 390.66 g/mol. Its IUPAC name is 1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene
PubChem CID173063942
Molecular FormulaC29H42
Molecular Weight390.66 g/mol
Exact Mass390.33
IUPAC Name1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene
SMILESCCCC1=C(C2=CCC=C2C2=C(CCC)C(C)=C(C)C2(C)C)C(C)(C)C(C)=C1C
InChIInChI=1S/C29H42/c1-11-14-22-18(3)20(5)28(7,8)26(22)24-16-13-17-25(24)27-23(15-12-2)19(4)21(6)29(27,9)10/h16-17H,11-15H2,1-10H3
InChIKeyVHOHQVJDHSVIEX-UHFFFAOYSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene with MolForge

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Related Compounds

1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene
CID 22664460
1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene
CID 22664471
1-cyclopenta-1,4-dien-1-yl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene
CID 21226322
1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene
CID 67330757
1,3-dichloro-2-propylcyclohexa-1,3-diene;methane
CID 167701959
(3-ethyl-2-methyl-7-propylcyclohepta-1,3,6-trien-1-yl)phosphane
CID 166651426
3,5-dimethyl-2-propylcyclohepta-1,3,5-triene
CID 123372728
5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one
CID 46848658
2,3-dimethyl-4,6-dihydro-1H-cyclopenta[b]pyrazine
CID 174070192
CID 91217685
CID 91217685
2-ethenyl-1',1',2',3'-tetramethyl-3-propylspiro[indene-1,4'-naphthalene]
CID 145291947
1,5,5-trimethyl-4-propylcyclopentene
CID 90979763

Frequently Asked Questions

What is the IUPAC name of 1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene?
The IUPAC name of 1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene (CID 173063942) is 1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene?
The canonical SMILES for 1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene is CCCC1=C(C2=CCC=C2C2=C(CCC)C(C)=C(C)C2(C)C)C(C)(C)C(C)=C1C.
What is the InChIKey of 1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene?
The InChIKey is VHOHQVJDHSVIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42/c1-11-14-22-18(3)20(5)28(7,8)26(22)24-16-13-17-25(24)27-23(15-12-2)19(4)21(6)29(27,9)10/h16-17H,11-15H2,1-10H3.
What are the key properties of 1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene?
1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene has a molecular weight of 390.66 g/mol, XLogP of 9.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene is sourced from PubChem (CID 173063942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).