ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate

C16H26O2 — CID 171651995

IUPACethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate
SMILESCCOC(=O)/C(C)=C\[C@@H](C)C1CC=C(C)C1(C)C
InChIInChI=1S/C16H26O2/c1-7-18-15(17)12(3)10-11(2)14-9-8-13(4)16(14,5)6/h8,10-11,14H,7,9H2,1-6H3/b12-10-/t11-,14?/m1/s1
InChIKeyQZSLJQMSPWOQDX-KYJFABJCSA-N
MW250.38 g/mol
LogP4.12
Rot. Bonds4

About ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate

ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate (PubChem CID 171651995) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate
PubChem CID171651995
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Nameethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate
SMILESCCOC(=O)/C(C)=C\[C@@H](C)C1CC=C(C)C1(C)C
InChIInChI=1S/C16H26O2/c1-7-18-15(17)12(3)10-11(2)14-9-8-13(4)16(14,5)6/h8,10-11,14H,7,9H2,1-6H3/b12-10-/t11-,14?/m1/s1
InChIKeyQZSLJQMSPWOQDX-KYJFABJCSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate?
The IUPAC name of ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate (CID 171651995) is ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate.
What is the SMILES notation for ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate?
The canonical SMILES for ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate is CCOC(=O)/C(C)=C\[C@@H](C)C1CC=C(C)C1(C)C.
What is the InChIKey of ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate?
The InChIKey is QZSLJQMSPWOQDX-KYJFABJCSA-N. The full InChI is InChI=1S/C16H26O2/c1-7-18-15(17)12(3)10-11(2)14-9-8-13(4)16(14,5)6/h8,10-11,14H,7,9H2,1-6H3/b12-10-/t11-,14?/m1/s1.
What are the key properties of ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate?
ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate has a molecular weight of 250.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate is sourced from PubChem (CID 171651995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).