2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C14H24O — CID 68836192

IUPAC2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC(C)C1(O)CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H24O/c1-6-10(2)14(15)9-11-7-8-13(14,5)12(11,3)4/h6,10-11,15H,1,7-9H2,2-5H3
InChIKeyYDAIKVTVMRNDBG-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.39
Rot. Bonds2

About 2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 68836192) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID68836192
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC(C)C1(O)CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H24O/c1-6-10(2)14(15)9-11-7-8-13(14,5)12(11,3)4/h6,10-11,15H,1,7-9H2,2-5H3
InChIKeyYDAIKVTVMRNDBG-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.39
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 2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 68836192) is 2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is C=CC(C)C1(O)CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is YDAIKVTVMRNDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-6-10(2)14(15)9-11-7-8-13(14,5)12(11,3)4/h6,10-11,15H,1,7-9H2,2-5H3.
What are the key properties of 2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 68836192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).