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

C25H44 — CID 54258927

IUPACpent-1-ene;(3S,5R)-1,2,3,4-tetramethyl-5-[2-[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]ethyl]cyclopentene
SMILESC=CCCC.CC1=C(C)[C@H](CC[C@H]2C(C)=C(C)[C@@H](C)C2C)C(C)[C@@H]1C
InChIInChI=1S/C20H34.C5H10/c1-11-12(2)16(6)19(15(11)5)9-10-20-17(7)13(3)14(4)18(20)8;1-3-5-4-2/h11,13,15,17,19-20H,9-10H2,1-8H3;3H,1,4-5H2,2H3/t11-,13-,15?,17?,19-,20-;/m1./s1
InChIKeyRCBWMFOIQHGEOW-ZECWCPESSA-N
MW344.63 g/mol
LogP8.22
Rot. Bonds5

About 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

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 (PubChem CID 54258927) has the molecular formula C25H44 and a molecular weight of 344.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namepent-1-ene;(3S,5R)-1,2,3,4-tetramethyl-5-[2-[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]ethyl]cyclopentene
PubChem CID54258927
Molecular FormulaC25H44
Molecular Weight344.63 g/mol
Exact Mass344.34
IUPAC Namepent-1-ene;(3S,5R)-1,2,3,4-tetramethyl-5-[2-[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]ethyl]cyclopentene
SMILESC=CCCC.CC1=C(C)[C@H](CC[C@H]2C(C)=C(C)[C@@H](C)C2C)C(C)[C@@H]1C
InChIInChI=1S/C20H34.C5H10/c1-11-12(2)16(6)19(15(11)5)9-10-20-17(7)13(3)14(4)18(20)8;1-3-5-4-2/h11,13,15,17,19-20H,9-10H2,1-8H3;3H,1,4-5H2,2H3/t11-,13-,15?,17?,19-,20-;/m1./s1
InChIKeyRCBWMFOIQHGEOW-ZECWCPESSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 58.22
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCCC.CC1=C(C)[C@H](CC[C@H]2C(C)=C(C)[C@@H](C)C2C)C(C)[C@@H]1C.
What is the InChIKey of 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?
The InChIKey is RCBWMFOIQHGEOW-ZECWCPESSA-N. The full InChI is InChI=1S/C20H34.C5H10/c1-11-12(2)16(6)19(15(11)5)9-10-20-17(7)13(3)14(4)18(20)8;1-3-5-4-2/h11,13,15,17,19-20H,9-10H2,1-8H3;3H,1,4-5H2,2H3/t11-,13-,15?,17?,19-,20-;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 344.63 g/mol, XLogP of 8.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54258927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).