8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline

C18H25NO2 — CID 130354886

IUPAC8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline
SMILESCCCCOc1cc2c(cc1C)C=NC1C2COC1(C)C
InChIInChI=1S/C18H25NO2/c1-5-6-7-20-16-9-14-13(8-12(16)2)10-19-17-15(14)11-21-18(17,3)4/h8-10,15,17H,5-7,11H2,1-4H3
InChIKeyACFXYMMATBSFPD-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.87
Rot. Bonds4

About 8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline

8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline (PubChem CID 130354886) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline.

Molecular Properties

Compound Name8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline
PubChem CID130354886
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline
SMILESCCCCOc1cc2c(cc1C)C=NC1C2COC1(C)C
InChIInChI=1S/C18H25NO2/c1-5-6-7-20-16-9-14-13(8-12(16)2)10-19-17-15(14)11-21-18(17,3)4/h8-10,15,17H,5-7,11H2,1-4H3
InChIKeyACFXYMMATBSFPD-UHFFFAOYSA-N
XLogP3.87
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-9-butoxy-3,3,10-trimethyl-15-oxo-4-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid
CID 130354881
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
1-butoxy-4-methoxy-2,5-dimethylbenzene
CID 58371109
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
6-(3-methoxypropoxy)-7-methyl-3-propan-2-yl-3,4-dihydroisoquinoline
CID 123339931
4-butoxy-2-chloro-5-methylaniline
CID 115555294
6-butoxy-4-chloro-7-methoxy-1,4-dihydroquinazoline
CID 121481656
4-butoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 81004742
4,5-dibutoxybenzene-1,2-dithiol
CID 177461948
2-[4-[(E)-2-[4-[(E)-2-[4-(5,5-dimethyl-1,3-dioxan-2-yl)-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]-5,5-dimethyl-1,3-dioxane
CID 101201553
6,7,16,17,26,27-hexabutoxy-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 86222385
bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane
CID 137329614

Frequently Asked Questions

What is the IUPAC name of 8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline?
The IUPAC name of 8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline (CID 130354886) is 8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline.
What is the SMILES notation for 8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline?
The canonical SMILES for 8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline is CCCCOc1cc2c(cc1C)C=NC1C2COC1(C)C.
What is the InChIKey of 8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline?
The InChIKey is ACFXYMMATBSFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-6-7-20-16-9-14-13(8-12(16)2)10-19-17-15(14)11-21-18(17,3)4/h8-10,15,17H,5-7,11H2,1-4H3.
What are the key properties of 8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline?
8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline has a molecular weight of 287.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butoxy-3,3,7-trimethyl-3a,9b-dihydro-1H-furo[3,4-c]isoquinoline is sourced from PubChem (CID 130354886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).