1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol

C18H30O — CID 70520367

IUPAC1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol
SMILESCCC(O)C(C)=CC1CC2C(C)=CC1CC2(C)CC
InChIInChI=1S/C18H30O/c1-6-17(19)13(4)9-14-10-16-12(3)8-15(14)11-18(16,5)7-2/h8-9,14-17,19H,6-7,10-11H2,1-5H3
InChIKeyQAHLIKOKHYIMFO-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.72
Rot. Bonds4

About 1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol

1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol (PubChem CID 70520367) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol.

Molecular Properties

Compound Name1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol
PubChem CID70520367
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol
SMILESCCC(O)C(C)=CC1CC2C(C)=CC1CC2(C)CC
InChIInChI=1S/C18H30O/c1-6-17(19)13(4)9-14-10-16-12(3)8-15(14)11-18(16,5)7-2/h8-9,14-17,19H,6-7,10-11H2,1-5H3
InChIKeyQAHLIKOKHYIMFO-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.72
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-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol?
The IUPAC name of 1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol (CID 70520367) is 1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol.
What is the SMILES notation for 1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol?
The canonical SMILES for 1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol is CCC(O)C(C)=CC1CC2C(C)=CC1CC2(C)CC.
What is the InChIKey of 1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol?
The InChIKey is QAHLIKOKHYIMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-6-17(19)13(4)9-14-10-16-12(3)8-15(14)11-18(16,5)7-2/h8-9,14-17,19H,6-7,10-11H2,1-5H3.
What are the key properties of 1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol?
1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol has a molecular weight of 262.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethyl-5,8-dimethyl-2-bicyclo[2.2.2]oct-5-enyl)-2-methylpent-1-en-3-ol is sourced from PubChem (CID 70520367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).