1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one

C15H24O2 — CID 150206166

IUPAC1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one
SMILESCOC1(C(=O)CCCCCC(C)C)C=CC=C1
InChIInChI=1S/C15H24O2/c1-13(2)9-5-4-6-10-14(16)15(17-3)11-7-8-12-15/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyFQNLVMIVDDPBLQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.67
Rot. Bonds8

About 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one

1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one (PubChem CID 150206166) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one.

Molecular Properties

Compound Name1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one
PubChem CID150206166
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one
SMILESCOC1(C(=O)CCCCCC(C)C)C=CC=C1
InChIInChI=1S/C15H24O2/c1-13(2)9-5-4-6-10-14(16)15(17-3)11-7-8-12-15/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyFQNLVMIVDDPBLQ-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.67
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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Related Compounds

1-Methoxybicyclo[3.2.2]non-6-en-2-one
CID 13378430
1-[2-(3-Methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one
CID 138974955
1-Cyclopenta-2,4-dien-1-yl-1-methoxy-9-methyldecan-2-one
CID 67417959
1-Cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one
CID 67420374
1-Methoxy-1-(2-methylcyclopenta-2,4-dien-1-yl)octan-2-one
CID 89587576
1-(1-Methoxycyclohexa-2,4-dien-1-yl)pentan-1-one
CID 141182026
1-(1-Methoxy-2-methylcyclohexa-2,5-dien-1-yl)heptan-1-one
CID 149647284
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-8-methylnonan-1-one
CID 149660976
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)decan-1-one
CID 149661448
1-(1-Methoxycyclopenta-2,4-dien-1-yl)-8-methylnonan-1-one
CID 149844633
1-(1-Methoxycyclopenta-2,4-dien-1-yl)decan-1-one
CID 149850110
1-(1-Methoxy-2,5-dimethylcyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one
CID 149855314

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one?
The IUPAC name of 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one (CID 150206166) is 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one.
What is the SMILES notation for 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one?
The canonical SMILES for 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one is COC1(C(=O)CCCCCC(C)C)C=CC=C1.
What is the InChIKey of 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one?
The InChIKey is FQNLVMIVDDPBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)9-5-4-6-10-14(16)15(17-3)11-7-8-12-15/h7-8,11-13H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one?
1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one has a molecular weight of 236.36 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopenta-2,4-dien-1-yl)-7-methyloctan-1-one is sourced from PubChem (CID 150206166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).