1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol

C11H18O — CID 130151167

IUPAC1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol
SMILESC=C1CC2(C)CC(C)(C)C1C2O
InChIInChI=1S/C11H18O/c1-7-5-11(4)6-10(2,3)8(7)9(11)12/h8-9,12H,1,5-6H2,2-4H3
InChIKeyFLTDUGSUKJZELK-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.36
Rot. Bonds

About 1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol

1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol (PubChem CID 130151167) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol
PubChem CID130151167
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol
SMILESC=C1CC2(C)CC(C)(C)C1C2O
InChIInChI=1S/C11H18O/c1-7-5-11(4)6-10(2,3)8(7)9(11)12/h8-9,12H,1,5-6H2,2-4H3
InChIKeyFLTDUGSUKJZELK-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.36
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 1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol?
The IUPAC name of 1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol (CID 130151167) is 1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for 1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for 1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol is C=C1CC2(C)CC(C)(C)C1C2O.
What is the InChIKey of 1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol?
The InChIKey is FLTDUGSUKJZELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7-5-11(4)6-10(2,3)8(7)9(11)12/h8-9,12H,1,5-6H2,2-4H3.
What are the key properties of 1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol?
1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol has a molecular weight of 166.26 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-5-methylidenebicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 130151167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).