9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol

C20H30O2 — CID 57488806

IUPAC9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol
SMILESCCCCC(C)(C)c1cc(O)c2c(c1)OC1CCCCC21C
InChIInChI=1S/C20H30O2/c1-5-6-10-19(2,3)14-12-15(21)18-16(13-14)22-17-9-7-8-11-20(17,18)4/h12-13,17,21H,5-11H2,1-4H3
InChIKeyAMVCTGNPIZTPPL-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.45
Rot. Bonds4

About 9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol

9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol (PubChem CID 57488806) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol.

Molecular Properties

Compound Name9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol
PubChem CID57488806
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol
SMILESCCCCC(C)(C)c1cc(O)c2c(c1)OC1CCCCC21C
InChIInChI=1S/C20H30O2/c1-5-6-10-19(2,3)14-12-15(21)18-16(13-14)22-17-9-7-8-11-20(17,18)4/h12-13,17,21H,5-11H2,1-4H3
InChIKeyAMVCTGNPIZTPPL-UHFFFAOYSA-N
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol?
The IUPAC name of 9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol (CID 57488806) is 9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol.
What is the SMILES notation for 9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol?
The canonical SMILES for 9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol is CCCCC(C)(C)c1cc(O)c2c(c1)OC1CCCCC21C.
What is the InChIKey of 9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol?
The InChIKey is AMVCTGNPIZTPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-5-6-10-19(2,3)14-12-15(21)18-16(13-14)22-17-9-7-8-11-20(17,18)4/h12-13,17,21H,5-11H2,1-4H3.
What are the key properties of 9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol?
9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol has a molecular weight of 302.46 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9a-methyl-3-(2-methylhexan-2-yl)-6,7,8,9-tetrahydro-5aH-dibenzofuran-1-ol is sourced from PubChem (CID 57488806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).