1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one

C17H28O2 — CID 67417959

IUPAC1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one
SMILESCOC(C(=O)CCCCCCC(C)C)C1C=CC=C1
InChIInChI=1S/C17H28O2/c1-14(2)10-6-4-5-7-13-16(18)17(19-3)15-11-8-9-12-15/h8-9,11-12,14-15,17H,4-7,10,13H2,1-3H3
InChIKeyTUQDYBFFEXMBPQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.31
Rot. Bonds10

About 1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one

1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one (PubChem CID 67417959) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one
PubChem CID67417959
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one
SMILESCOC(C(=O)CCCCCCC(C)C)C1C=CC=C1
InChIInChI=1S/C17H28O2/c1-14(2)10-6-4-5-7-13-16(18)17(19-3)15-11-8-9-12-15/h8-9,11-12,14-15,17H,4-7,10,13H2,1-3H3
InChIKeyTUQDYBFFEXMBPQ-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one (CID 67417959) is 1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one is COC(C(=O)CCCCCCC(C)C)C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one?
The InChIKey is TUQDYBFFEXMBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-14(2)10-6-4-5-7-13-16(18)17(19-3)15-11-8-9-12-15/h8-9,11-12,14-15,17H,4-7,10,13H2,1-3H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one?
1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one has a molecular weight of 264.41 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one is sourced from PubChem (CID 67417959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).