1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene

C23H34 — CID 91243090

IUPAC1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene
SMILESCC=C(C1=C(C)C(C)=C(C)C1(C)C)C1=C(C)C(C)=C(C)C1(C)C
InChIInChI=1S/C23H34/c1-12-19(20-15(4)13(2)17(6)22(20,8)9)21-16(5)14(3)18(7)23(21,10)11/h12H,1-11H3
InChIKeyMROKBKNQHOXAFF-UHFFFAOYSA-N
MW310.53 g/mol
LogP7.32
Rot. Bonds2

About 1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene

1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene (PubChem CID 91243090) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene
PubChem CID91243090
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene
SMILESCC=C(C1=C(C)C(C)=C(C)C1(C)C)C1=C(C)C(C)=C(C)C1(C)C
InChIInChI=1S/C23H34/c1-12-19(20-15(4)13(2)17(6)22(20,8)9)21-16(5)14(3)18(7)23(21,10)11/h12H,1-11H3
InChIKeyMROKBKNQHOXAFF-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene
CID 160680879
CID 91217685
CID 91217685
1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium
CID 87244974
1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
CID 18941814
1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene;zirconium(4+);trichloride
CID 173310075
1,2,3,5,5-pentamethyl-4-propan-2-ylcyclopenta-1,3-diene;platinum
CID 174846721
(4Z,5E)-4-ethylidene-1,2,3,3-tetramethyl-5-[(4E)-4-methylhexa-1,4-dien-3-ylidene]cyclopentene
CID 153369179
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CID 90797870
2,3,3-trimethylcyclopropen-1-amine
CID 153115766
(1R,4R)-1,3,4,5,6-pentamethylbicyclo[2.2.0]hexa-2,5-diene-2-carboxylic acid
CID 131064946
2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)ethanol;zirconium
CID 174358294
2,3,4,5,6,6-hexamethylcyclohexa-2,4-dien-1-ol
CID 121015071

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene (CID 91243090) is 1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene is CC=C(C1=C(C)C(C)=C(C)C1(C)C)C1=C(C)C(C)=C(C)C1(C)C.
What is the InChIKey of 1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene?
The InChIKey is MROKBKNQHOXAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34/c1-12-19(20-15(4)13(2)17(6)22(20,8)9)21-16(5)14(3)18(7)23(21,10)11/h12H,1-11H3.
What are the key properties of 1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene?
1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene has a molecular weight of 310.53 g/mol, XLogP of 7.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,5-pentamethyl-4-[1-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)prop-1-enyl]cyclopenta-1,3-diene is sourced from PubChem (CID 91243090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).