4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol

C20H34O — CID 590916

IUPAC4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol
SMILESC=CC1(C)CC(C)C23CCCC2C(C)(C(C)CC3)C(O)C1
InChIInChI=1S/C20H34O/c1-6-18(4)12-15(3)20-10-7-8-16(20)19(5,17(21)13-18)14(2)9-11-20/h6,14-17,21H,1,7-13H2,2-5H3
InChIKeyOPVUAGGKMBXOGV-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.19
Rot. Bonds1

About 4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol

4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol (PubChem CID 590916) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol.

Molecular Properties

Compound Name4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol
PubChem CID590916
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol
SMILESC=CC1(C)CC(C)C23CCCC2C(C)(C(C)CC3)C(O)C1
InChIInChI=1S/C20H34O/c1-6-18(4)12-15(3)20-10-7-8-16(20)19(5,17(21)13-18)14(2)9-11-20/h6,14-17,21H,1,7-13H2,2-5H3
InChIKeyOPVUAGGKMBXOGV-UHFFFAOYSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.19
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 4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol?
The IUPAC name of 4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol (CID 590916) is 4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol.
What is the SMILES notation for 4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol?
The canonical SMILES for 4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol is C=CC1(C)CC(C)C23CCCC2C(C)(C(C)CC3)C(O)C1.
What is the InChIKey of 4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol?
The InChIKey is OPVUAGGKMBXOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-6-18(4)12-15(3)20-10-7-8-16(20)19(5,17(21)13-18)14(2)9-11-20/h6,14-17,21H,1,7-13H2,2-5H3.
What are the key properties of 4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol?
4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol has a molecular weight of 290.49 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-6-ol is sourced from PubChem (CID 590916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).