2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol

C15H26O — CID 164618675

IUPAC2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol
SMILESCC1=CCC[C@@]2(C)CC[C@H](C(C)CO)C[C@H]12
InChIInChI=1S/C15H26O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h5,12-14,16H,4,6-10H2,1-3H3/t12?,13-,14+,15-/m0/s1
InChIKeyZDFWFTMVFRZWDI-DKUMPPAJSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds2

About 2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol

2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol (PubChem CID 164618675) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol
PubChem CID164618675
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol
SMILESCC1=CCC[C@@]2(C)CC[C@H](C(C)CO)C[C@H]12
InChIInChI=1S/C15H26O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h5,12-14,16H,4,6-10H2,1-3H3/t12?,13-,14+,15-/m0/s1
InChIKeyZDFWFTMVFRZWDI-DKUMPPAJSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

CID 31408
CID 31408
CID 92762
CID 92762
CID 443474
CID 443474
CID 182645
CID 182645
CID 21117614
CID 21117614
CID 1272250
CID 1272250
CID 5317269
CID 5317269
CID 171360
CID 171360
CID 162452
CID 162452
CID 3080551
CID 3080551
CID 15586712
CID 15586712
CID 15983960
CID 15983960

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol?
The IUPAC name of 2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol (CID 164618675) is 2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for 2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol?
The canonical SMILES for 2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol is CC1=CCC[C@@]2(C)CC[C@H](C(C)CO)C[C@H]12.
What is the InChIKey of 2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol?
The InChIKey is ZDFWFTMVFRZWDI-DKUMPPAJSA-N. The full InChI is InChI=1S/C15H26O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h5,12-14,16H,4,6-10H2,1-3H3/t12?,13-,14+,15-/m0/s1.
What are the key properties of 2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol?
2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 164618675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).