1-cyclooct-2-en-1-yl-4-methylpentan-3-one

C14H24O — CID 123994582

IUPAC1-cyclooct-2-en-1-yl-4-methylpentan-3-one
SMILESCC(C)C(=O)CCC1C=CCCCCC1
InChIInChI=1S/C14H24O/c1-12(2)14(15)11-10-13-8-6-4-3-5-7-9-13/h6,8,12-13H,3-5,7,9-11H2,1-2H3
InChIKeyRSKYKUJEVUQTSO-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.13
Rot. Bonds4

About 1-cyclooct-2-en-1-yl-4-methylpentan-3-one

1-cyclooct-2-en-1-yl-4-methylpentan-3-one (PubChem CID 123994582) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-cyclooct-2-en-1-yl-4-methylpentan-3-one.

Molecular Properties

Compound Name1-cyclooct-2-en-1-yl-4-methylpentan-3-one
PubChem CID123994582
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-cyclooct-2-en-1-yl-4-methylpentan-3-one
SMILESCC(C)C(=O)CCC1C=CCCCCC1
InChIInChI=1S/C14H24O/c1-12(2)14(15)11-10-13-8-6-4-3-5-7-9-13/h6,8,12-13H,3-5,7,9-11H2,1-2H3
InChIKeyRSKYKUJEVUQTSO-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-cyclooct-2-en-1-yl-4-methylpentan-3-one?
The IUPAC name of 1-cyclooct-2-en-1-yl-4-methylpentan-3-one (CID 123994582) is 1-cyclooct-2-en-1-yl-4-methylpentan-3-one.
What is the SMILES notation for 1-cyclooct-2-en-1-yl-4-methylpentan-3-one?
The canonical SMILES for 1-cyclooct-2-en-1-yl-4-methylpentan-3-one is CC(C)C(=O)CCC1C=CCCCCC1.
What is the InChIKey of 1-cyclooct-2-en-1-yl-4-methylpentan-3-one?
The InChIKey is RSKYKUJEVUQTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-12(2)14(15)11-10-13-8-6-4-3-5-7-9-13/h6,8,12-13H,3-5,7,9-11H2,1-2H3.
What are the key properties of 1-cyclooct-2-en-1-yl-4-methylpentan-3-one?
1-cyclooct-2-en-1-yl-4-methylpentan-3-one has a molecular weight of 208.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooct-2-en-1-yl-4-methylpentan-3-one is sourced from PubChem (CID 123994582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).