2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one

C18H34O2Si — CID 14060252

IUPAC2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one
SMILESCCCCCC1=C(O[Si](C(C)C)(C(C)C)C(C)C)CC1=O
InChIInChI=1S/C18H34O2Si/c1-8-9-10-11-16-17(19)12-18(16)20-21(13(2)3,14(4)5)15(6)7/h13-15H,8-12H2,1-7H3
InChIKeyONGVVDDCVZSDBP-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.99
Rot. Bonds9

About 2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one

2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one (PubChem CID 14060252) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one
PubChem CID14060252
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one
SMILESCCCCCC1=C(O[Si](C(C)C)(C(C)C)C(C)C)CC1=O
InChIInChI=1S/C18H34O2Si/c1-8-9-10-11-16-17(19)12-18(16)20-21(13(2)3,14(4)5)15(6)7/h13-15H,8-12H2,1-7H3
InChIKeyONGVVDDCVZSDBP-UHFFFAOYSA-N
XLogP5.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.99
H-Bond Donors ≤ 50
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 2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one?
The IUPAC name of 2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one (CID 14060252) is 2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one.
What is the SMILES notation for 2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one?
The canonical SMILES for 2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one is CCCCCC1=C(O[Si](C(C)C)(C(C)C)C(C)C)CC1=O.
What is the InChIKey of 2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one?
The InChIKey is ONGVVDDCVZSDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-8-9-10-11-16-17(19)12-18(16)20-21(13(2)3,14(4)5)15(6)7/h13-15H,8-12H2,1-7H3.
What are the key properties of 2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one?
2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one has a molecular weight of 310.55 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one is sourced from PubChem (CID 14060252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).