(1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol

C15H26O — CID 163084315

IUPAC(1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol
SMILESC=C[C@]1(O)CC[C@@]2(C)[C@@H](C)CC[C@@]2(C)[C@H]1C
InChIInChI=1S/C15H26O/c1-6-15(16)10-9-13(4)11(2)7-8-14(13,5)12(15)3/h6,11-12,16H,1,7-10H2,2-5H3/t11-,12+,13-,14-,15-/m0/s1
InChIKeyTUCSIUBDOHTKKQ-AICCOOGYSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds1

About (1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol

(1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol (PubChem CID 163084315) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol.

Molecular Properties

Compound Name(1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol
PubChem CID163084315
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol
SMILESC=C[C@]1(O)CC[C@@]2(C)[C@@H](C)CC[C@@]2(C)[C@H]1C
InChIInChI=1S/C15H26O/c1-6-15(16)10-9-13(4)11(2)7-8-14(13,5)12(15)3/h6,11-12,16H,1,7-10H2,2-5H3/t11-,12+,13-,14-,15-/m0/s1
InChIKeyTUCSIUBDOHTKKQ-AICCOOGYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 (1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol?
The IUPAC name of (1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol (CID 163084315) is (1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol.
What is the SMILES notation for (1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol?
The canonical SMILES for (1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol is C=C[C@]1(O)CC[C@@]2(C)[C@@H](C)CC[C@@]2(C)[C@H]1C.
What is the InChIKey of (1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol?
The InChIKey is TUCSIUBDOHTKKQ-AICCOOGYSA-N. The full InChI is InChI=1S/C15H26O/c1-6-15(16)10-9-13(4)11(2)7-8-14(13,5)12(15)3/h6,11-12,16H,1,7-10H2,2-5H3/t11-,12+,13-,14-,15-/m0/s1.
What are the key properties of (1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol?
(1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,4R,5R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol is sourced from PubChem (CID 163084315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).