3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran

C17H30O2 — CID 146330950

IUPAC3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
SMILESCCCOC1CCC2C(C1)OC1C(C)C(C)CCC21
InChIInChI=1S/C17H30O2/c1-4-9-18-13-6-8-14-15-7-5-11(2)12(3)17(15)19-16(14)10-13/h11-17H,4-10H2,1-3H3
InChIKeyMVBVYFPKPVFFIS-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.03
Rot. Bonds3

About 3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran

3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran (PubChem CID 146330950) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran.

Molecular Properties

Compound Name3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
PubChem CID146330950
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
SMILESCCCOC1CCC2C(C1)OC1C(C)C(C)CCC21
InChIInChI=1S/C17H30O2/c1-4-9-18-13-6-8-14-15-7-5-11(2)12(3)17(15)19-16(14)10-13/h11-17H,4-10H2,1-3H3
InChIKeyMVBVYFPKPVFFIS-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran with MolForge

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Related Compounds

4-methyl-7-(4-methylpentoxy)-3-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
CID 144922844
3-methyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophene-4-thiol
CID 126748281
cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol
CID 92538664
(1S,5R)-3-butoxy-6-oxabicyclo[3.1.0]hexane
CID 126664173
1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole
CID 171567501
propoxycyclooctane
CID 54078990
1,2-dimethyl-4-(2-methylsulfanylethoxy)cyclohexane
CID 104863820
1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane
CID 137428589
4-(3-bromo-2-propoxycyclobutyl)oxy-1,2-dimethylcyclohexane
CID 107943018
4-propoxycyclohexane-1-carbonyl chloride
CID 13343846
N-methyl-3-propoxycyclohexan-1-amine
CID 79618240
1-chloro-3-propoxycyclobutane
CID 66344084

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The IUPAC name of 3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran (CID 146330950) is 3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran.
What is the SMILES notation for 3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The canonical SMILES for 3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran is CCCOC1CCC2C(C1)OC1C(C)C(C)CCC21.
What is the InChIKey of 3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
The InChIKey is MVBVYFPKPVFFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-4-9-18-13-6-8-14-15-7-5-11(2)12(3)17(15)19-16(14)10-13/h11-17H,4-10H2,1-3H3.
What are the key properties of 3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran?
3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran has a molecular weight of 266.42 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-7-propoxy-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran is sourced from PubChem (CID 146330950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).