2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol

C14H24O — CID 162914980

IUPAC2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol
SMILESCC1=CCC[C@H]2CC[C@@H](C(C)(C)O)C[C@@H]12
InChIInChI=1S/C14H24O/c1-10-5-4-6-11-7-8-12(9-13(10)11)14(2,3)15/h5,11-13,15H,4,6-9H2,1-3H3/t11-,12+,13-/m0/s1
InChIKeyIPZIYGAXCZTOMH-XQQFMLRXSA-N
MW208.34 g/mol
LogP3.53
Rot. Bonds1

About 2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol

2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol (PubChem CID 162914980) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol
PubChem CID162914980
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol
SMILESCC1=CCC[C@H]2CC[C@@H](C(C)(C)O)C[C@@H]12
InChIInChI=1S/C14H24O/c1-10-5-4-6-11-7-8-12(9-13(10)11)14(2,3)15/h5,11-13,15H,4,6-9H2,1-3H3/t11-,12+,13-/m0/s1
InChIKeyIPZIYGAXCZTOMH-XQQFMLRXSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol (CID 162914980) is 2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol is CC1=CCC[C@H]2CC[C@@H](C(C)(C)O)C[C@@H]12.
What is the InChIKey of 2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol?
The InChIKey is IPZIYGAXCZTOMH-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H24O/c1-10-5-4-6-11-7-8-12(9-13(10)11)14(2,3)15/h5,11-13,15H,4,6-9H2,1-3H3/t11-,12+,13-/m0/s1.
What are the key properties of 2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol?
2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4aS,8aR)-8-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol is sourced from PubChem (CID 162914980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).