2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol

C12H22O2 — CID 12753759

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol
SMILESOCCOC1CCCC2CCCCC21
InChIInChI=1S/C12H22O2/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h10-13H,1-9H2
InChIKeyNBJUEVWVAJZFLO-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.35
Rot. Bonds3

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol (PubChem CID 12753759) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol
PubChem CID12753759
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol
SMILESOCCOC1CCCC2CCCCC21
InChIInChI=1S/C12H22O2/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h10-13H,1-9H2
InChIKeyNBJUEVWVAJZFLO-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol (CID 12753759) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol is OCCOC1CCCC2CCCCC21.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol?
The InChIKey is NBJUEVWVAJZFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h10-13H,1-9H2.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol has a molecular weight of 198.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol is sourced from PubChem (CID 12753759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).