cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate

C16H26O2 — CID 68952375

IUPACcyclopentyl 3-cyclopentyl-2-methylpent-2-enoate
SMILESCCC(=C(C)C(=O)OC1CCCC1)C1CCCC1
InChIInChI=1S/C16H26O2/c1-3-15(13-8-4-5-9-13)12(2)16(17)18-14-10-6-7-11-14/h13-14H,3-11H2,1-2H3
InChIKeyDCNPIYKOGGCKGW-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.39
Rot. Bonds4

About cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate

cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate (PubChem CID 68952375) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate.

Molecular Properties

Compound Namecyclopentyl 3-cyclopentyl-2-methylpent-2-enoate
PubChem CID68952375
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Namecyclopentyl 3-cyclopentyl-2-methylpent-2-enoate
SMILESCCC(=C(C)C(=O)OC1CCCC1)C1CCCC1
InChIInChI=1S/C16H26O2/c1-3-15(13-8-4-5-9-13)12(2)16(17)18-14-10-6-7-11-14/h13-14H,3-11H2,1-2H3
InChIKeyDCNPIYKOGGCKGW-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl 2,3-dimethylbut-2-enoate
CID 131134401
3-cyclohexyl-2-methylpent-2-enethioic S-acid
CID 54517934
cyclododecyl 2-methylidenebutanoate
CID 57244431
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclopentyl (Z)-2-methylbut-2-enoate
CID 70402433
acetamide;cyclopentyl propanoate
CID 143322096
methyl 3-cyclohexyl-4-hydroxy-2-methylbut-2-enoate
CID 174741411
cyclohexyl propanoate;dihydrochloride
CID 172803130
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
(6-acetyloxycyclodecyl) acetate
CID 539578
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
cyclohexyl acetate;iodoethane
CID 174262238

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate?
The IUPAC name of cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate (CID 68952375) is cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate.
What is the SMILES notation for cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate?
The canonical SMILES for cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate is CCC(=C(C)C(=O)OC1CCCC1)C1CCCC1.
What is the InChIKey of cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate?
The InChIKey is DCNPIYKOGGCKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-15(13-8-4-5-9-13)12(2)16(17)18-14-10-6-7-11-14/h13-14H,3-11H2,1-2H3.
What are the key properties of cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate?
cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate has a molecular weight of 250.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-cyclopentyl-2-methylpent-2-enoate is sourced from PubChem (CID 68952375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).