3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol

C17H26O — CID 82920523

IUPAC3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol
SMILESCCC(CC)CC(O)C1CCc2ccccc2C1
InChIInChI=1S/C17H26O/c1-3-13(4-2)11-17(18)16-10-9-14-7-5-6-8-15(14)12-16/h5-8,13,16-18H,3-4,9-12H2,1-2H3
InChIKeyZLJUCSUPURWVNA-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.98
Rot. Bonds5

About 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol

3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol (PubChem CID 82920523) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol
PubChem CID82920523
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol
SMILESCCC(CC)CC(O)C1CCc2ccccc2C1
InChIInChI=1S/C17H26O/c1-3-13(4-2)11-17(18)16-10-9-14-7-5-6-8-15(14)12-16/h5-8,13,16-18H,3-4,9-12H2,1-2H3
InChIKeyZLJUCSUPURWVNA-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol?
The IUPAC name of 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol (CID 82920523) is 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol.
What is the SMILES notation for 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol?
The canonical SMILES for 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol is CCC(CC)CC(O)C1CCc2ccccc2C1.
What is the InChIKey of 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol?
The InChIKey is ZLJUCSUPURWVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-13(4-2)11-17(18)16-10-9-14-7-5-6-8-15(14)12-16/h5-8,13,16-18H,3-4,9-12H2,1-2H3.
What are the key properties of 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol?
3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol is sourced from PubChem (CID 82920523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).