2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

C12H22O — CID 59649291

IUPAC2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SMILESCCC1(O)CCC2CCCCC2C1
InChIInChI=1S/C12H22O/c1-2-12(13)8-7-10-5-3-4-6-11(10)9-12/h10-11,13H,2-9H2,1H3
InChIKeyVVTIHMHOQLUWQA-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.12
Rot. Bonds1

About 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol (PubChem CID 59649291) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
PubChem CID59649291
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SMILESCCC1(O)CCC2CCCCC2C1
InChIInChI=1S/C12H22O/c1-2-12(13)8-7-10-5-3-4-6-11(10)9-12/h10-11,13H,2-9H2,1H3
InChIKeyVVTIHMHOQLUWQA-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The IUPAC name of 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol (CID 59649291) is 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol is CCC1(O)CCC2CCCCC2C1.
What is the InChIKey of 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The InChIKey is VVTIHMHOQLUWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-2-12(13)8-7-10-5-3-4-6-11(10)9-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol has a molecular weight of 182.31 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 59649291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).