(Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one

C18H30O — CID 70991047

IUPAC(Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one
SMILESCC/C(=C(\C)C1=C(C)CC(C)C1)C(C(C)=O)C(C)C
InChIInChI=1S/C18H30O/c1-8-16(18(11(2)3)15(7)19)14(6)17-10-12(4)9-13(17)5/h11-12,18H,8-10H2,1-7H3/b16-14-
InChIKeyOASMAKJJTDTGOJ-PEZBUJJGSA-N
MW262.44 g/mol
LogP5.32
Rot. Bonds5

About (Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one

(Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one (PubChem CID 70991047) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is (Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one.

Molecular Properties

Compound Name(Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one
PubChem CID70991047
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name(Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one
SMILESCC/C(=C(\C)C1=C(C)CC(C)C1)C(C(C)=O)C(C)C
InChIInChI=1S/C18H30O/c1-8-16(18(11(2)3)15(7)19)14(6)17-10-12(4)9-13(17)5/h11-12,18H,8-10H2,1-7H3/b16-14-
InChIKeyOASMAKJJTDTGOJ-PEZBUJJGSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one?
The IUPAC name of (Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one (CID 70991047) is (Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one.
What is the SMILES notation for (Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one?
The canonical SMILES for (Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one is CC/C(=C(\C)C1=C(C)CC(C)C1)C(C(C)=O)C(C)C.
What is the InChIKey of (Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one?
The InChIKey is OASMAKJJTDTGOJ-PEZBUJJGSA-N. The full InChI is InChI=1S/C18H30O/c1-8-16(18(11(2)3)15(7)19)14(6)17-10-12(4)9-13(17)5/h11-12,18H,8-10H2,1-7H3/b16-14-.
What are the key properties of (Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one?
(Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one has a molecular weight of 262.44 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one is sourced from PubChem (CID 70991047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).