2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol

C19H28O — CID 84820361

IUPAC2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol
SMILESC=CC(C)(O)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C19H28O/c1-9-19(8,20)13-10-11-14-15(12-13)17(4,5)18(6,7)16(14,2)3/h9-12,20H,1H2,2-8H3
InChIKeyFRKYJTPHVKEWOH-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.68
Rot. Bonds2

About 2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol

2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol (PubChem CID 84820361) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol.

Molecular Properties

Compound Name2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol
PubChem CID84820361
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol
SMILESC=CC(C)(O)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C19H28O/c1-9-19(8,20)13-10-11-14-15(12-13)17(4,5)18(6,7)16(14,2)3/h9-12,20H,1H2,2-8H3
InChIKeyFRKYJTPHVKEWOH-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.68
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-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol?
The IUPAC name of 2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol (CID 84820361) is 2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol.
What is the SMILES notation for 2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol?
The canonical SMILES for 2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol is C=CC(C)(O)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of 2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol?
The InChIKey is FRKYJTPHVKEWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-9-19(8,20)13-10-11-14-15(12-13)17(4,5)18(6,7)16(14,2)3/h9-12,20H,1H2,2-8H3.
What are the key properties of 2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol?
2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol has a molecular weight of 272.43 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3-hexamethylinden-5-yl)but-3-en-2-ol is sourced from PubChem (CID 84820361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).