bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane

C45H88 — CID 162298772

IUPACbis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane
SMILESC=CC.C=CC.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C
InChIInChI=1S/C19H36.2C10H20.2C3H6/c1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8;2*1-6-7(2)9(4)10(5)8(6)3;2*1-3-2/h10-19H,9H2,1-8H3;2*6-10H,1-5H3;2*3H,1H2,2H3
InChIKeyDRFUSSFWPYOMOZ-UHFFFAOYSA-N
MW629.20 g/mol
LogP14.47
Rot. Bonds2

About bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane

bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane (PubChem CID 162298772) has the molecular formula C45H88 and a molecular weight of 629.20 g/mol. Its IUPAC name is bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane.

Molecular Properties

Compound Namebis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane
PubChem CID162298772
Molecular FormulaC45H88
Molecular Weight629.20 g/mol
Exact Mass628.69
IUPAC Namebis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane
SMILESC=CC.C=CC.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C
InChIInChI=1S/C19H36.2C10H20.2C3H6/c1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8;2*1-6-7(2)9(4)10(5)8(6)3;2*1-3-2/h10-19H,9H2,1-8H3;2*6-10H,1-5H3;2*3H,1H2,2H3
InChIKeyDRFUSSFWPYOMOZ-UHFFFAOYSA-N
XLogP14.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.20
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane?
The IUPAC name of bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane (CID 162298772) is bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane.
What is the SMILES notation for bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane?
The canonical SMILES for bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane is C=CC.C=CC.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C.
What is the InChIKey of bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane?
The InChIKey is DRFUSSFWPYOMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36.2C10H20.2C3H6/c1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8;2*1-6-7(2)9(4)10(5)8(6)3;2*1-3-2/h10-19H,9H2,1-8H3;2*6-10H,1-5H3;2*3H,1H2,2H3.
What are the key properties of bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane?
bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane has a molecular weight of 629.20 g/mol, XLogP of 14.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane is sourced from PubChem (CID 162298772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).