CID 70240773

C18H31O2Si — CID 70240773

IUPAC—
SMILESC[C@@H]1[C@@H](C(C)(C)C)CCC2=C(O[Si](C)C)C(=O)CC[C@@]21C
InChIInChI=1S/C18H31O2Si/c1-12-13(17(2,3)4)8-9-14-16(20-21(6)7)15(19)10-11-18(12,14)5/h12-13H,8-11H2,1-7H3/t12-,13+,18-/m1/s1
InChIKeyGJTSBZDTYVYKQQ-FHSNZYRGSA-N
MW307.53 g/mol
LogP4.97
Rot. Bonds2

About CID 70240773

CID 70240773 (PubChem CID 70240773) has the molecular formula C18H31O2Si and a molecular weight of 307.53 g/mol.

Molecular Properties

Compound NameCID 70240773
PubChem CID70240773
Molecular FormulaC18H31O2Si
Molecular Weight307.53 g/mol
Exact Mass307.21
IUPAC Name—
SMILESC[C@@H]1[C@@H](C(C)(C)C)CCC2=C(O[Si](C)C)C(=O)CC[C@@]21C
InChIInChI=1S/C18H31O2Si/c1-12-13(17(2,3)4)8-9-14-16(20-21(6)7)15(19)10-11-18(12,14)5/h12-13H,8-11H2,1-7H3/t12-,13+,18-/m1/s1
InChIKeyGJTSBZDTYVYKQQ-FHSNZYRGSA-N
XLogP4.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70240773?
The IUPAC name of CID 70240773 (CID 70240773) is not available.
What is the SMILES notation for CID 70240773?
The canonical SMILES for CID 70240773 is C[C@@H]1[C@@H](C(C)(C)C)CCC2=C(O[Si](C)C)C(=O)CC[C@@]21C.
What is the InChIKey of CID 70240773?
The InChIKey is GJTSBZDTYVYKQQ-FHSNZYRGSA-N. The full InChI is InChI=1S/C18H31O2Si/c1-12-13(17(2,3)4)8-9-14-16(20-21(6)7)15(19)10-11-18(12,14)5/h12-13H,8-11H2,1-7H3/t12-,13+,18-/m1/s1.
What are the key properties of CID 70240773?
CID 70240773 has a molecular weight of 307.53 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70240773 is sourced from PubChem (CID 70240773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).