5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran

C15H26O — CID 56842953

IUPAC5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran
SMILESCC1(C)CCCC2CC3(C)COCC3CC21
InChIInChI=1S/C15H26O/c1-14(2)6-4-5-11-8-15(3)10-16-9-12(15)7-13(11)14/h11-13H,4-10H2,1-3H3
InChIKeyIQITUVRKSXAERU-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.88
Rot. Bonds

About 5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran

5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran (PubChem CID 56842953) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran.

Molecular Properties

Compound Name5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran
PubChem CID56842953
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran
SMILESCC1(C)CCCC2CC3(C)COCC3CC21
InChIInChI=1S/C15H26O/c1-14(2)6-4-5-11-8-15(3)10-16-9-12(15)7-13(11)14/h11-13H,4-10H2,1-3H3
InChIKeyIQITUVRKSXAERU-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran?
The IUPAC name of 5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran (CID 56842953) is 5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran.
What is the SMILES notation for 5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran?
The canonical SMILES for 5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran is CC1(C)CCCC2CC3(C)COCC3CC21.
What is the InChIKey of 5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran?
The InChIKey is IQITUVRKSXAERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-14(2)6-4-5-11-8-15(3)10-16-9-12(15)7-13(11)14/h11-13H,4-10H2,1-3H3.
What are the key properties of 5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran?
5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran has a molecular weight of 222.37 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran is sourced from PubChem (CID 56842953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).