CID 22214462

C8H17OSi — CID 22214462

IUPAC—
SMILESC=CCC(CC)O[Si](C)C
InChIInChI=1S/C8H17OSi/c1-5-7-8(6-2)9-10(3)4/h5,8H,1,6-7H2,2-4H3
InChIKeyPVCWNCUVCJTZCE-UHFFFAOYSA-N
MW157.31 g/mol
LogP2.61
Rot. Bonds5

About CID 22214462

CID 22214462 (PubChem CID 22214462) has the molecular formula C8H17OSi and a molecular weight of 157.31 g/mol.

Molecular Properties

Compound NameCID 22214462
PubChem CID22214462
Molecular FormulaC8H17OSi
Molecular Weight157.31 g/mol
Exact Mass157.10
IUPAC Name—
SMILESC=CCC(CC)O[Si](C)C
InChIInChI=1S/C8H17OSi/c1-5-7-8(6-2)9-10(3)4/h5,8H,1,6-7H2,2-4H3
InChIKeyPVCWNCUVCJTZCE-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hepta-1,6-dien-4-yloxyhepta-1,6-diene
CID 23055063
CID 22295533
CID 22295533
CID 22213238
CID 22213238
hex-5-en-3-yloxybenzene
CID 174866865
4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104
4,5,6-trimethyloct-1-ene
CID 91354249
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
ethene;4-ethylhex-1-ene
CID 159399050
4,5-diethylhept-1-ene
CID 123746760
4,5-dimethoxypent-1-ene
CID 73040162
2-methoxypent-4-en-1-ol
CID 90985403
(3S)-hex-5-en-3-ol
CID 10749148

Frequently Asked Questions

What is the IUPAC name of CID 22214462?
The IUPAC name of CID 22214462 (CID 22214462) is not available.
What is the SMILES notation for CID 22214462?
The canonical SMILES for CID 22214462 is C=CCC(CC)O[Si](C)C.
What is the InChIKey of CID 22214462?
The InChIKey is PVCWNCUVCJTZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17OSi/c1-5-7-8(6-2)9-10(3)4/h5,8H,1,6-7H2,2-4H3.
What are the key properties of CID 22214462?
CID 22214462 has a molecular weight of 157.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22214462 is sourced from PubChem (CID 22214462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).