2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal

C11H16O2 — CID 174719247

IUPAC2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal
SMILESCCCC(C=O)C1(OC)C=CC=C1
InChIInChI=1S/C11H16O2/c1-3-6-10(9-12)11(13-2)7-4-5-8-11/h4-5,7-10H,3,6H2,1-2H3
InChIKeyGRLPZCDBAFKEJE-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.11
Rot. Bonds5

About 2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal

2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal (PubChem CID 174719247) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal.

Molecular Properties

Compound Name2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal
PubChem CID174719247
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal
SMILESCCCC(C=O)C1(OC)C=CC=C1
InChIInChI=1S/C11H16O2/c1-3-6-10(9-12)11(13-2)7-4-5-8-11/h4-5,7-10H,3,6H2,1-2H3
InChIKeyGRLPZCDBAFKEJE-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methoxycyclopenta-2,4-dien-1-yl)-8-methylnonanal
CID 174853775
2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal
CID 174651164
potassium;hydride;2-methylpentanal
CID 173401246
7-methyl-7-(2-methylpentoxy)cyclohepta-1,3,5-triene
CID 123996559
2-methyl-3-methylperoxyhexane
CID 89198281
2-methylpentanal;propanal
CID 23460116
CID 57162775
CID 57162775
2-(2-chloroethyl)pentanal
CID 175205251
(2S)-2-ethylpentanal
CID 71368973
2-[di(propan-2-yl)amino]pentanal
CID 54207099
(5R)-6-methyl-2,5-dipropyloctanal
CID 143527461
1-(1-methoxycycloheptyl)-2-methylpentan-1-one
CID 107896414

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal?
The IUPAC name of 2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal (CID 174719247) is 2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal.
What is the SMILES notation for 2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal?
The canonical SMILES for 2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal is CCCC(C=O)C1(OC)C=CC=C1.
What is the InChIKey of 2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal?
The InChIKey is GRLPZCDBAFKEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-6-10(9-12)11(13-2)7-4-5-8-11/h4-5,7-10H,3,6H2,1-2H3.
What are the key properties of 2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal?
2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal has a molecular weight of 180.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopenta-2,4-dien-1-yl)pentanal is sourced from PubChem (CID 174719247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).