bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene

C45H80 — CID 162298783

IUPACbis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene
SMILESC=CC.C=CC.CC1=C(C)[C@H](C)C(C)[C@@H]1C.CC1=C(C)[C@H](C)C(C)[C@@H]1C.CC1=C(C)[C@H](C[C@H]2C(C)=C(C)[C@@H](C)C2C)C(C)[C@@H]1C
InChIInChI=1S/C19H32.2C10H18.2C3H6/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/h10,12,14,16,18-19H,9H2,1-8H3;2*6-8H,1-5H3;2*3H,1H2,2H3/t10-,12-,14?,16?,18-,19-;2*6?,7-,8+;;/m1..../s1
InChIKeyYDENZZOABUOROC-OHDNYPBJSA-N
MW621.14 g/mol
LogP14.73
Rot. Bonds2

About bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene

bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene (PubChem CID 162298783) has the molecular formula C45H80 and a molecular weight of 621.14 g/mol. Its IUPAC name is bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene.

Molecular Properties

Compound Namebis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene
PubChem CID162298783
Molecular FormulaC45H80
Molecular Weight621.14 g/mol
Exact Mass620.63
IUPAC Namebis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene
SMILESC=CC.C=CC.CC1=C(C)[C@H](C)C(C)[C@@H]1C.CC1=C(C)[C@H](C)C(C)[C@@H]1C.CC1=C(C)[C@H](C[C@H]2C(C)=C(C)[C@@H](C)C2C)C(C)[C@@H]1C
InChIInChI=1S/C19H32.2C10H18.2C3H6/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/h10,12,14,16,18-19H,9H2,1-8H3;2*6-8H,1-5H3;2*3H,1H2,2H3/t10-,12-,14?,16?,18-,19-;2*6?,7-,8+;;/m1..../s1
InChIKeyYDENZZOABUOROC-OHDNYPBJSA-N
XLogP14.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.14
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene with MolForge

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Related Compounds

(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene
CID 91386552
pent-1-ene;(3S,5R)-1,2,3,4-tetramethyl-5-[2-[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]ethyl]cyclopentene
CID 54258927
(3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane
CID 91251322
CID 90712882
CID 90712882
1,2,3,4,5,6-hexamethylcyclohexene;osmium
CID 173399747
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
(3R,4R)-1,2,3,4-tetramethylcyclobutene
CID 15050868
1,2,3,4-tetramethylcyclobutene
CID 565395
prop-1-ene
CID 162178440
2,3,4,5,6-pentamethylcyclohex-2-en-1-one
CID 20756072
azane;tris(prop-1-ene)
CID 162019717
ethane;bis(prop-1-ene)
CID 91426438

Frequently Asked Questions

What is the IUPAC name of bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene?
The IUPAC name of bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene (CID 162298783) is bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene.
What is the SMILES notation for bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene?
The canonical SMILES for bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene is C=CC.C=CC.CC1=C(C)[C@H](C)C(C)[C@@H]1C.CC1=C(C)[C@H](C)C(C)[C@@H]1C.CC1=C(C)[C@H](C[C@H]2C(C)=C(C)[C@@H](C)C2C)C(C)[C@@H]1C.
What is the InChIKey of bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene?
The InChIKey is YDENZZOABUOROC-OHDNYPBJSA-N. The full InChI is InChI=1S/C19H32.2C10H18.2C3H6/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/h10,12,14,16,18-19H,9H2,1-8H3;2*6-8H,1-5H3;2*3H,1H2,2H3/t10-,12-,14?,16?,18-,19-;2*6?,7-,8+;;/m1..../s1.
What are the key properties of bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene?
bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene has a molecular weight of 621.14 g/mol, XLogP of 14.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene is sourced from PubChem (CID 162298783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).