(1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol

C17H26O — CID 11053950

IUPAC(1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol
SMILESC=C1[C@@H]2CC[C@@]1(C)[C@](O)(C1=C(C)CCC1)C[C@H]2C
InChIInChI=1S/C17H26O/c1-11-6-5-7-15(11)17(18)10-12(2)14-8-9-16(17,4)13(14)3/h12,14,18H,3,5-10H2,1-2,4H3/t12-,14-,16-,17-/m1/s1
InChIKeyAOVILSQLBVHPQL-ODVANORSSA-N
MW246.39 g/mol
LogP4.23
Rot. Bonds1

About (1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol

(1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol (PubChem CID 11053950) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is (1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name(1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol
PubChem CID11053950
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name(1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol
SMILESC=C1[C@@H]2CC[C@@]1(C)[C@](O)(C1=C(C)CCC1)C[C@H]2C
InChIInChI=1S/C17H26O/c1-11-6-5-7-15(11)17(18)10-12(2)14-8-9-16(17,4)13(14)3/h12,14,18H,3,5-10H2,1-2,4H3/t12-,14-,16-,17-/m1/s1
InChIKeyAOVILSQLBVHPQL-ODVANORSSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-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 (1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol?
The IUPAC name of (1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol (CID 11053950) is (1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for (1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol?
The canonical SMILES for (1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol is C=C1[C@@H]2CC[C@@]1(C)[C@](O)(C1=C(C)CCC1)C[C@H]2C.
What is the InChIKey of (1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol?
The InChIKey is AOVILSQLBVHPQL-ODVANORSSA-N. The full InChI is InChI=1S/C17H26O/c1-11-6-5-7-15(11)17(18)10-12(2)14-8-9-16(17,4)13(14)3/h12,14,18H,3,5-10H2,1-2,4H3/t12-,14-,16-,17-/m1/s1.
What are the key properties of (1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol?
(1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol has a molecular weight of 246.39 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 11053950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).