1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone

C15H22O — CID 150062283

IUPAC1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone
SMILESCC(=O)C1(C)C=CCC=C(C)CCC=C1C
InChIInChI=1S/C15H22O/c1-12-8-5-6-11-15(4,14(3)16)13(2)10-7-9-12/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyDNNVFCKUKCNZQQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.21
Rot. Bonds1

About 1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone

1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone (PubChem CID 150062283) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone.

Molecular Properties

Compound Name1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone
PubChem CID150062283
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone
SMILESCC(=O)C1(C)C=CCC=C(C)CCC=C1C
InChIInChI=1S/C15H22O/c1-12-8-5-6-11-15(4,14(3)16)13(2)10-7-9-12/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyDNNVFCKUKCNZQQ-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.21
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-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone?
The IUPAC name of 1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone (CID 150062283) is 1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone.
What is the SMILES notation for 1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone?
The canonical SMILES for 1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone is CC(=O)C1(C)C=CCC=C(C)CCC=C1C.
What is the InChIKey of 1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone?
The InChIKey is DNNVFCKUKCNZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-12-8-5-6-11-15(4,14(3)16)13(2)10-7-9-12/h6,8,10-11H,5,7,9H2,1-4H3.
What are the key properties of 1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone?
1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone has a molecular weight of 218.34 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6,10-trimethylcyclodeca-2,5,9-trien-1-yl)ethanone is sourced from PubChem (CID 150062283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).