1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol

C16H30O — CID 15801257

IUPAC1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol
SMILESCC(O)C1(C)CC2C(CCCC2(C)C)CC1C
InChIInChI=1S/C16H30O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11-14,17H,6-10H2,1-5H3
InChIKeyXDFUNZJKZIEFPV-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.25
Rot. Bonds1

About 1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol

1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol (PubChem CID 15801257) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol
PubChem CID15801257
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol
SMILESCC(O)C1(C)CC2C(CCCC2(C)C)CC1C
InChIInChI=1S/C16H30O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11-14,17H,6-10H2,1-5H3
InChIKeyXDFUNZJKZIEFPV-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol?
The IUPAC name of 1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol (CID 15801257) is 1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol?
The canonical SMILES for 1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol is CC(O)C1(C)CC2C(CCCC2(C)C)CC1C.
What is the InChIKey of 1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol?
The InChIKey is XDFUNZJKZIEFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11-14,17H,6-10H2,1-5H3.
What are the key properties of 1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol?
1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol has a molecular weight of 238.41 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 15801257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).