(1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol

C15H24O — CID 42636546

IUPAC(1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol
SMILESC=C[C@@]1(C)CC[C@]2(C)C(=C)[C@H]1[C@@H](O)C[C@H]2C
InChIInChI=1S/C15H24O/c1-6-14(4)7-8-15(5)10(2)9-12(16)13(14)11(15)3/h6,10,12-13,16H,1,3,7-9H2,2,4-5H3/t10-,12+,13+,14+,15+/m1/s1
InChIKeyJBUQURQKBULYPO-BFYSQQLMSA-N
MW220.36 g/mol
LogP3.55
Rot. Bonds1

About (1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol

(1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol (PubChem CID 42636546) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol.

Molecular Properties

Compound Name(1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol
PubChem CID42636546
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol
SMILESC=C[C@@]1(C)CC[C@]2(C)C(=C)[C@H]1[C@@H](O)C[C@H]2C
InChIInChI=1S/C15H24O/c1-6-14(4)7-8-15(5)10(2)9-12(16)13(14)11(15)3/h6,10,12-13,16H,1,3,7-9H2,2,4-5H3/t10-,12+,13+,14+,15+/m1/s1
InChIKeyJBUQURQKBULYPO-BFYSQQLMSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.55
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 (1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol?
The IUPAC name of (1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol (CID 42636546) is (1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol.
What is the SMILES notation for (1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol?
The canonical SMILES for (1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol is C=C[C@@]1(C)CC[C@]2(C)C(=C)[C@H]1[C@@H](O)C[C@H]2C.
What is the InChIKey of (1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol?
The InChIKey is JBUQURQKBULYPO-BFYSQQLMSA-N. The full InChI is InChI=1S/C15H24O/c1-6-14(4)7-8-15(5)10(2)9-12(16)13(14)11(15)3/h6,10,12-13,16H,1,3,7-9H2,2,4-5H3/t10-,12+,13+,14+,15+/m1/s1.
What are the key properties of (1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol?
(1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol is sourced from PubChem (CID 42636546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).