8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde

C21H28O5 — CID 15392037

IUPAC8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde
SMILESCOc1ccc(C2(C=O)CCC3(CC2)OCCO3)cc1OC1CCCC1
InChIInChI=1S/C21H28O5/c1-23-18-7-6-16(14-19(18)26-17-4-2-3-5-17)20(15-22)8-10-21(11-9-20)24-12-13-25-21/h6-7,14-15,17H,2-5,8-13H2,1H3
InChIKeyVTOWBALBZYSZTM-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.77
Rot. Bonds5

About 8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde

8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde (PubChem CID 15392037) has the molecular formula C21H28O5 and a molecular weight of 360.45 g/mol. Its IUPAC name is 8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde.

Molecular Properties

Compound Name8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde
PubChem CID15392037
Molecular FormulaC21H28O5
Molecular Weight360.45 g/mol
Exact Mass360.19
IUPAC Name8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde
SMILESCOc1ccc(C2(C=O)CCC3(CC2)OCCO3)cc1OC1CCCC1
InChIInChI=1S/C21H28O5/c1-23-18-7-6-16(14-19(18)26-17-4-2-3-5-17)20(15-22)8-10-21(11-9-20)24-12-13-25-21/h6-7,14-15,17H,2-5,8-13H2,1H3
InChIKeyVTOWBALBZYSZTM-UHFFFAOYSA-N
XLogP3.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopentyloxy-4-methoxyphenyl)-4-oxocyclohexane-1-carbaldehyde
CID 10495633
2-cyclopentyloxy-4-(1-isocyanatocyclobutyl)-1-methoxybenzene
CID 117463719
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 19976886
1-(4-methoxy-3-methylphenyl)cyclopropane-1-carbaldehyde
CID 82125542
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile
CID 154535456
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one
CID 23298807
3-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-4-oxocyclohexyl]ethenyl]benzonitrile
CID 54485703
[1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]methanamine
CID 117488616
2-cyclobutyloxy-4-(1-isocyanatocyclopentyl)-1-methoxybenzene
CID 117463743
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde
CID 82127349
cis-(3S,4R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3,4-bis(2-oxoethyl)cyclopentane-1-carbonitrile
CID 11210884

Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde?
The IUPAC name of 8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde (CID 15392037) is 8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde.
What is the SMILES notation for 8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde?
The canonical SMILES for 8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde is COc1ccc(C2(C=O)CCC3(CC2)OCCO3)cc1OC1CCCC1.
What is the InChIKey of 8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde?
The InChIKey is VTOWBALBZYSZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O5/c1-23-18-7-6-16(14-19(18)26-17-4-2-3-5-17)20(15-22)8-10-21(11-9-20)24-12-13-25-21/h6-7,14-15,17H,2-5,8-13H2,1H3.
What are the key properties of 8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde?
8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde has a molecular weight of 360.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carbaldehyde is sourced from PubChem (CID 15392037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).