2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol

C15H26O — CID 21319788

IUPAC2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(C)(O)C1C2CCC(C2)C1(C)C
InChIInChI=1S/C15H26O/c1-10(2)9-15(5,16)13-11-6-7-12(8-11)14(13,3)4/h11-13,16H,1,6-9H2,2-5H3
InChIKeyGJDKEVNQDVTZMU-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds3

About 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol

2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol (PubChem CID 21319788) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol
PubChem CID21319788
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(C)(O)C1C2CCC(C2)C1(C)C
InChIInChI=1S/C15H26O/c1-10(2)9-15(5,16)13-11-6-7-12(8-11)14(13,3)4/h11-13,16H,1,6-9H2,2-5H3
InChIKeyGJDKEVNQDVTZMU-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.78
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-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol?
The IUPAC name of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol (CID 21319788) is 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol.
What is the SMILES notation for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol?
The canonical SMILES for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol is C=C(C)CC(C)(O)C1C2CCC(C2)C1(C)C.
What is the InChIKey of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol?
The InChIKey is GJDKEVNQDVTZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)9-15(5,16)13-11-6-7-12(8-11)14(13,3)4/h11-13,16H,1,6-9H2,2-5H3.
What are the key properties of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol?
2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylpent-4-en-2-ol is sourced from PubChem (CID 21319788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).