(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol

C12H22O — CID 67375196

IUPAC(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
SMILESC[C@@H]1CCCC2C1CCC[C@@]2(C)O
InChIInChI=1S/C12H22O/c1-9-5-3-7-11-10(9)6-4-8-12(11,2)13/h9-11,13H,3-8H2,1-2H3/t9-,10?,11?,12-/m1/s1
InChIKeyIIEQFICZGKSBSC-HBIQZDMRSA-N
MW182.31 g/mol
LogP2.97
Rot. Bonds

About (1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol

(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol (PubChem CID 67375196) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
PubChem CID67375196
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
SMILESC[C@@H]1CCCC2C1CCC[C@@]2(C)O
InChIInChI=1S/C12H22O/c1-9-5-3-7-11-10(9)6-4-8-12(11,2)13/h9-11,13H,3-8H2,1-2H3/t9-,10?,11?,12-/m1/s1
InChIKeyIIEQFICZGKSBSC-HBIQZDMRSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol?
The IUPAC name of (1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol (CID 67375196) is (1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol.
What is the SMILES notation for (1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol?
The canonical SMILES for (1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol is C[C@@H]1CCCC2C1CCC[C@@]2(C)O.
What is the InChIKey of (1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol?
The InChIKey is IIEQFICZGKSBSC-HBIQZDMRSA-N. The full InChI is InChI=1S/C12H22O/c1-9-5-3-7-11-10(9)6-4-8-12(11,2)13/h9-11,13H,3-8H2,1-2H3/t9-,10?,11?,12-/m1/s1.
What are the key properties of (1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol?
(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol has a molecular weight of 182.31 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol is sourced from PubChem (CID 67375196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).