(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene

C19H32 — CID 91386552

IUPAC(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene
SMILESCC1=C(C)[C@H](C[C@H]2C(C)=C(C)[C@@H](C)C2C)C(C)C1C
InChIInChI=1S/C19H32/c1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8/h10,12,14,16,18-19H,9H2,1-8H3/t10-,12?,14?,16?,18-,19-/m1/s1
InChIKeySTGFUWYBUHJWPJ-YLAYMJRHSA-N
MW260.46 g/mol
LogP5.85
Rot. Bonds2

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

(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene (PubChem CID 91386552) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is (3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene.

Molecular Properties

Compound Name(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene
PubChem CID91386552
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene
SMILESCC1=C(C)[C@H](C[C@H]2C(C)=C(C)[C@@H](C)C2C)C(C)C1C
InChIInChI=1S/C19H32/c1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8/h10,12,14,16,18-19H,9H2,1-8H3/t10-,12?,14?,16?,18-,19-/m1/s1
InChIKeySTGFUWYBUHJWPJ-YLAYMJRHSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.85
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

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
CID 90712882
CID 90712882
(3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane
CID 91251322
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
1,2,3,4,5,6-hexamethylcyclohexene;osmium
CID 173399747
1,2,3,4-tetramethylcyclobutene
CID 565395
(3R,4R)-1,2,3,4-tetramethylcyclobutene
CID 15050868
N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine
CID 163603149
2,3,4,5-tetramethylcyclohexene-1-thiol
CID 142867217
2,3,4,5,6-pentamethylcyclohex-2-en-1-one
CID 20756072
CID 162267338
CID 162267338
CID 117064244
CID 117064244

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene?
The IUPAC name of (3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene (CID 91386552) is (3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene.
What is the SMILES notation for (3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene?
The canonical SMILES for (3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene is CC1=C(C)[C@H](C[C@H]2C(C)=C(C)[C@@H](C)C2C)C(C)C1C.
What is the InChIKey of (3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene?
The InChIKey is STGFUWYBUHJWPJ-YLAYMJRHSA-N. The full InChI is InChI=1S/C19H32/c1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8/h10,12,14,16,18-19H,9H2,1-8H3/t10-,12?,14?,16?,18-,19-/m1/s1.
What are the key properties of (3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene?
(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene has a molecular weight of 260.46 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene is sourced from PubChem (CID 91386552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).