1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

C13H24O — CID 68614086

IUPAC1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SMILESCC(C)C1C(O)CCC2CCCCC21
InChIInChI=1S/C13H24O/c1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)14/h9-14H,3-8H2,1-2H3
InChIKeyYPYPPFRZWAWGNY-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.22
Rot. Bonds1

About 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (PubChem CID 68614086) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
PubChem CID68614086
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SMILESCC(C)C1C(O)CCC2CCCCC21
InChIInChI=1S/C13H24O/c1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)14/h9-14H,3-8H2,1-2H3
InChIKeyYPYPPFRZWAWGNY-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-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The IUPAC name of 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (CID 68614086) is 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol.
What is the SMILES notation for 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The canonical SMILES for 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is CC(C)C1C(O)CCC2CCCCC21.
What is the InChIKey of 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The InChIKey is YPYPPFRZWAWGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)14/h9-14H,3-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol 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-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is sourced from PubChem (CID 68614086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).