1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol

C23H44O2Si — CID 101018809

IUPAC1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol
SMILESCCCCCCCC1(O)C(CCO)=CC(CCCCCC)=C1[Si](C)(C)C
InChIInChI=1S/C23H44O2Si/c1-6-8-10-12-14-17-23(25)21(16-18-24)19-20(15-13-11-9-7-2)22(23)26(3,4)5/h19,24-25H,6-18H2,1-5H3
InChIKeyQHBPSWFDAXGBGD-UHFFFAOYSA-N
MW380.69 g/mol
LogP6.54
Rot. Bonds14

About 1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol

1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol (PubChem CID 101018809) has the molecular formula C23H44O2Si and a molecular weight of 380.69 g/mol. Its IUPAC name is 1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol.

Molecular Properties

Compound Name1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol
PubChem CID101018809
Molecular FormulaC23H44O2Si
Molecular Weight380.69 g/mol
Exact Mass380.31
IUPAC Name1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol
SMILESCCCCCCCC1(O)C(CCO)=CC(CCCCCC)=C1[Si](C)(C)C
InChIInChI=1S/C23H44O2Si/c1-6-8-10-12-14-17-23(25)21(16-18-24)19-20(15-13-11-9-7-2)22(23)26(3,4)5/h19,24-25H,6-18H2,1-5H3
InChIKeyQHBPSWFDAXGBGD-UHFFFAOYSA-N
XLogP6.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol?
The IUPAC name of 1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol (CID 101018809) is 1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol.
What is the SMILES notation for 1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol?
The canonical SMILES for 1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol is CCCCCCCC1(O)C(CCO)=CC(CCCCCC)=C1[Si](C)(C)C.
What is the InChIKey of 1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol?
The InChIKey is QHBPSWFDAXGBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2Si/c1-6-8-10-12-14-17-23(25)21(16-18-24)19-20(15-13-11-9-7-2)22(23)26(3,4)5/h19,24-25H,6-18H2,1-5H3.
What are the key properties of 1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol?
1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol has a molecular weight of 380.69 g/mol, XLogP of 6.54, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-3-hexyl-5-(2-hydroxyethyl)-2-trimethylsilylcyclopenta-2,4-dien-1-ol is sourced from PubChem (CID 101018809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).