CID 10036843

C13H23LiOSi — CID 10036843

IUPAC—
SMILESCC1(C)[C@H]2[C-]=C(O[Si](C)(C)C)[C@]1(C)CC2.[Li+]
InChIInChI=1S/C13H23OSi.Li/c1-12(2)10-7-8-13(12,3)11(9-10)14-15(4,5)6;/h10H,7-8H2,1-6H3;/q-1;+1/t10-,13+;/m1./s1
InChIKeyUGMPMRVXBNZZFN-HTKOBJQYSA-N
MW230.35 g/mol
LogP0.99
Rot. Bonds2

About CID 10036843

CID 10036843 (PubChem CID 10036843) has the molecular formula C13H23LiOSi and a molecular weight of 230.35 g/mol.

Molecular Properties

Compound NameCID 10036843
PubChem CID10036843
Molecular FormulaC13H23LiOSi
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name—
SMILESCC1(C)[C@H]2[C-]=C(O[Si](C)(C)C)[C@]1(C)CC2.[Li+]
InChIInChI=1S/C13H23OSi.Li/c1-12(2)10-7-8-13(12,3)11(9-10)14-15(4,5)6;/h10H,7-8H2,1-6H3;/q-1;+1/t10-,13+;/m1./s1
InChIKeyUGMPMRVXBNZZFN-HTKOBJQYSA-N
XLogP0.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10036843?
The IUPAC name of CID 10036843 (CID 10036843) is not available.
What is the SMILES notation for CID 10036843?
The canonical SMILES for CID 10036843 is CC1(C)[C@H]2[C-]=C(O[Si](C)(C)C)[C@]1(C)CC2.[Li+].
What is the InChIKey of CID 10036843?
The InChIKey is UGMPMRVXBNZZFN-HTKOBJQYSA-N. The full InChI is InChI=1S/C13H23OSi.Li/c1-12(2)10-7-8-13(12,3)11(9-10)14-15(4,5)6;/h10H,7-8H2,1-6H3;/q-1;+1/t10-,13+;/m1./s1.
What are the key properties of CID 10036843?
CID 10036843 has a molecular weight of 230.35 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10036843 is sourced from PubChem (CID 10036843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).