(2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol

C15H26O2 — CID 18396005

IUPAC(2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
SMILESCC(C)(C)O[C@H]1CCCC2=C[C@@H](O)CC[C@@]21C
InChIInChI=1S/C15H26O2/c1-14(2,3)17-13-7-5-6-11-10-12(16)8-9-15(11,13)4/h10,12-13,16H,5-9H2,1-4H3/t12-,13-,15-/m0/s1
InChIKeyUGVDPCLDADJXNC-YDHLFZDLSA-N
MW238.37 g/mol
LogP3.44
Rot. Bonds1

About (2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol

(2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol (PubChem CID 18396005) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol.

Molecular Properties

Compound Name(2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
PubChem CID18396005
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
SMILESCC(C)(C)O[C@H]1CCCC2=C[C@@H](O)CC[C@@]21C
InChIInChI=1S/C15H26O2/c1-14(2,3)17-13-7-5-6-11-10-12(16)8-9-15(11,13)4/h10,12-13,16H,5-9H2,1-4H3/t12-,13-,15-/m0/s1
InChIKeyUGVDPCLDADJXNC-YDHLFZDLSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
The IUPAC name of (2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol (CID 18396005) is (2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol.
What is the SMILES notation for (2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
The canonical SMILES for (2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol is CC(C)(C)O[C@H]1CCCC2=C[C@@H](O)CC[C@@]21C.
What is the InChIKey of (2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
The InChIKey is UGVDPCLDADJXNC-YDHLFZDLSA-N. The full InChI is InChI=1S/C15H26O2/c1-14(2,3)17-13-7-5-6-11-10-12(16)8-9-15(11,13)4/h10,12-13,16H,5-9H2,1-4H3/t12-,13-,15-/m0/s1.
What are the key properties of (2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
(2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol has a molecular weight of 238.37 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol is sourced from PubChem (CID 18396005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).