(2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol

C13H24O — CID 11127203

IUPAC(2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
SMILESCC1(C)[C@@H](O)CC[C@]2(C)CCCC[C@@H]12
InChIInChI=1S/C13H24O/c1-12(2)10-6-4-5-8-13(10,3)9-7-11(12)14/h10-11,14H,4-9H2,1-3H3/t10-,11-,13-/m0/s1
InChIKeyKNLXUOXPWXEJME-GVXVVHGQSA-N
MW196.33 g/mol
LogP3.36
Rot. Bonds

About (2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol

(2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol (PubChem CID 11127203) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
PubChem CID11127203
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
SMILESCC1(C)[C@@H](O)CC[C@]2(C)CCCC[C@@H]12
InChIInChI=1S/C13H24O/c1-12(2)10-6-4-5-8-13(10,3)9-7-11(12)14/h10-11,14H,4-9H2,1-3H3/t10-,11-,13-/m0/s1
InChIKeyKNLXUOXPWXEJME-GVXVVHGQSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
The IUPAC name of (2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol (CID 11127203) is (2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol.
What is the SMILES notation for (2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
The canonical SMILES for (2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol is CC1(C)[C@@H](O)CC[C@]2(C)CCCC[C@@H]12.
What is the InChIKey of (2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
The InChIKey is KNLXUOXPWXEJME-GVXVVHGQSA-N. The full InChI is InChI=1S/C13H24O/c1-12(2)10-6-4-5-8-13(10,3)9-7-11(12)14/h10-11,14H,4-9H2,1-3H3/t10-,11-,13-/m0/s1.
What are the key properties of (2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
(2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol has a molecular weight of 196.33 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aS,8aR)-1,1,4a-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol is sourced from PubChem (CID 11127203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).