(1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol

C15H28O2 — CID 146683295

IUPAC(1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
SMILESCC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@H](CO)C[C@H]21
InChIInChI=1S/C15H28O2/c1-10(2)12-6-7-15(3,17)14-5-4-11(9-16)8-13(12)14/h10-14,16-17H,4-9H2,1-3H3/t11-,12+,13+,14-,15-/m1/s1
InChIKeyPIKNQLVNCPAHCA-GZBLMMOJSA-N
MW240.39 g/mol
LogP2.83
Rot. Bonds2

About (1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol

(1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol (PubChem CID 146683295) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name(1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
PubChem CID146683295
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
SMILESCC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@H](CO)C[C@H]21
InChIInChI=1S/C15H28O2/c1-10(2)12-6-7-15(3,17)14-5-4-11(9-16)8-13(12)14/h10-14,16-17H,4-9H2,1-3H3/t11-,12+,13+,14-,15-/m1/s1
InChIKeyPIKNQLVNCPAHCA-GZBLMMOJSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-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,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol?
The IUPAC name of (1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol (CID 146683295) is (1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol.
What is the SMILES notation for (1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol?
The canonical SMILES for (1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol is CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@H](CO)C[C@H]21.
What is the InChIKey of (1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol?
The InChIKey is PIKNQLVNCPAHCA-GZBLMMOJSA-N. The full InChI is InChI=1S/C15H28O2/c1-10(2)12-6-7-15(3,17)14-5-4-11(9-16)8-13(12)14/h10-14,16-17H,4-9H2,1-3H3/t11-,12+,13+,14-,15-/m1/s1.
What are the key properties of (1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol?
(1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol has a molecular weight of 240.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol is sourced from PubChem (CID 146683295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).