1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol

C14H24O — CID 115401314

IUPAC1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC(C)=CC1(O)C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C14H24O/c1-10(2)8-14(15)12(3,4)11-6-7-13(14,5)9-11/h8,11,15H,6-7,9H2,1-5H3
InChIKeyMLRPHEVJBPPYGM-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.53
Rot. Bonds1

About 1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol

1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 115401314) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID115401314
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC(C)=CC1(O)C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C14H24O/c1-10(2)8-14(15)12(3,4)11-6-7-13(14,5)9-11/h8,11,15H,6-7,9H2,1-5H3
InChIKeyMLRPHEVJBPPYGM-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.53
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-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol (CID 115401314) is 1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol is CC(C)=CC1(O)C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is MLRPHEVJBPPYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10(2)8-14(15)12(3,4)11-6-7-13(14,5)9-11/h8,11,15H,6-7,9H2,1-5H3.
What are the key properties of 1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol?
1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-(2-methylprop-1-enyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 115401314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).