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

C15H26O2 — CID 16724522

IUPAC(2S,8R,8aR)-5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol
SMILESCC(C)[C@H]1CCC(CO)=C2CC[C@](C)(O)C[C@@H]21
InChIInChI=1S/C15H26O2/c1-10(2)12-5-4-11(9-16)13-6-7-15(3,17)8-14(12)13/h10,12,14,16-17H,4-9H2,1-3H3/t12-,14-,15+/m1/s1
InChIKeyAEIGTUFAPRNEKB-YUELXQCFSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds2

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

(2S,8R,8aR)-5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol (PubChem CID 16724522) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S,8R,8aR)-5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(2S,8R,8aR)-5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol
PubChem CID16724522
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2S,8R,8aR)-5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol
SMILESCC(C)[C@H]1CCC(CO)=C2CC[C@](C)(O)C[C@@H]21
InChIInChI=1S/C15H26O2/c1-10(2)12-5-4-11(9-16)13-6-7-15(3,17)8-14(12)13/h10,12,14,16-17H,4-9H2,1-3H3/t12-,14-,15+/m1/s1
InChIKeyAEIGTUFAPRNEKB-YUELXQCFSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2S,8R,8aR)-5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of (2S,8R,8aR)-5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol (CID 16724522) is (2S,8R,8aR)-5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for (2S,8R,8aR)-5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for (2S,8R,8aR)-5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol is CC(C)[C@H]1CCC(CO)=C2CC[C@](C)(O)C[C@@H]21.
What is the InChIKey of (2S,8R,8aR)-5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol?
The InChIKey is AEIGTUFAPRNEKB-YUELXQCFSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)12-5-4-11(9-16)13-6-7-15(3,17)8-14(12)13/h10,12,14,16-17H,4-9H2,1-3H3/t12-,14-,15+/m1/s1.
What are the key properties of (2S,8R,8aR)-5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol?
(2S,8R,8aR)-5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol has a molecular weight of 238.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,8R,8aR)-5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 16724522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).