1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol

C13H24O — CID 129031720

IUPAC1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol
SMILESCC(O)C1CCC2CCC(C)(C)C2C1
InChIInChI=1S/C13H24O/c1-9(14)11-5-4-10-6-7-13(2,3)12(10)8-11/h9-12,14H,4-8H2,1-3H3
InChIKeyYHKNQZBVBYNHEH-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.22
Rot. Bonds1

About 1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol

1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol (PubChem CID 129031720) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol.

Molecular Properties

Compound Name1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol
PubChem CID129031720
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol
SMILESCC(O)C1CCC2CCC(C)(C)C2C1
InChIInChI=1S/C13H24O/c1-9(14)11-5-4-10-6-7-13(2,3)12(10)8-11/h9-12,14H,4-8H2,1-3H3
InChIKeyYHKNQZBVBYNHEH-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol?
The IUPAC name of 1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol (CID 129031720) is 1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol.
What is the SMILES notation for 1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol?
The canonical SMILES for 1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol is CC(O)C1CCC2CCC(C)(C)C2C1.
What is the InChIKey of 1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol?
The InChIKey is YHKNQZBVBYNHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9(14)11-5-4-10-6-7-13(2,3)12(10)8-11/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol?
1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol has a molecular weight of 196.33 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol is sourced from PubChem (CID 129031720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).