CID 12639585

C18H33Si — CID 12639585

IUPAC—
SMILESC1CCC([Si](C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C18H33Si/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2
InChIKeyYKQPUNXIUGKUCS-UHFFFAOYSA-N
MW277.55 g/mol
LogP6.48
Rot. Bonds3

About CID 12639585

CID 12639585 (PubChem CID 12639585) has the molecular formula C18H33Si and a molecular weight of 277.55 g/mol.

Molecular Properties

Compound NameCID 12639585
PubChem CID12639585
Molecular FormulaC18H33Si
Molecular Weight277.55 g/mol
Exact Mass277.24
IUPAC Name—
SMILESC1CCC([Si](C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C18H33Si/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2
InChIKeyYKQPUNXIUGKUCS-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.55
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 21462186
CID 21462186
CID 21462141
CID 21462141
tricyclo[5.4.0.08,11]undecane
CID 176586412
tricyclo[5.5.0.02,6]dodecane
CID 578151
CID 21461727
CID 21461727
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
1,3-dicyclohexyl-1,3-dimethyl-1,3-disiletane
CID 155899508
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
(1R,8R)-9-methylbicyclo[6.1.0]nonane
CID 12870202

Frequently Asked Questions

What is the IUPAC name of CID 12639585?
The IUPAC name of CID 12639585 (CID 12639585) is not available.
What is the SMILES notation for CID 12639585?
The canonical SMILES for CID 12639585 is C1CCC([Si](C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of CID 12639585?
The InChIKey is YKQPUNXIUGKUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33Si/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2.
What are the key properties of CID 12639585?
CID 12639585 has a molecular weight of 277.55 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12639585 is sourced from PubChem (CID 12639585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).