CID 86038274

C6H13OSi — CID 86038274

IUPAC—
SMILESCC(O)CCCC[Si]
InChIInChI=1S/C6H13OSi/c1-6(7)4-2-3-5-8/h6-7H,2-5H2,1H3
InChIKeyPJLNFXBCBICDGR-UHFFFAOYSA-N
MW129.25 g/mol
LogP1.12
Rot. Bonds4

About CID 86038274

CID 86038274 (PubChem CID 86038274) has the molecular formula C6H13OSi and a molecular weight of 129.25 g/mol.

Molecular Properties

Compound NameCID 86038274
PubChem CID86038274
Molecular FormulaC6H13OSi
Molecular Weight129.25 g/mol
Exact Mass129.07
IUPAC Name—
SMILESCC(O)CCCC[Si]
InChIInChI=1S/C6H13OSi/c1-6(7)4-2-3-5-8/h6-7H,2-5H2,1H3
InChIKeyPJLNFXBCBICDGR-UHFFFAOYSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-heptan-2-ol
CID 6992611
(2S)-octadecan-2-ol
CID 25022019
heptan-2-ol;hydroxylamine
CID 88625997
(10S)-undecane-1,10-diol
CID 129382222
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
docosan-2-ol
CID 14151025
(2S)-heptan-2-ol;hydrochloride
CID 141119609
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
hexane-1,5-diol;propane-1,3-diol
CID 139532508
henicosan-2-ol
CID 14151023

Frequently Asked Questions

What is the IUPAC name of CID 86038274?
The IUPAC name of CID 86038274 (CID 86038274) is not available.
What is the SMILES notation for CID 86038274?
The canonical SMILES for CID 86038274 is CC(O)CCCC[Si].
What is the InChIKey of CID 86038274?
The InChIKey is PJLNFXBCBICDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13OSi/c1-6(7)4-2-3-5-8/h6-7H,2-5H2,1H3.
What are the key properties of CID 86038274?
CID 86038274 has a molecular weight of 129.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86038274 is sourced from PubChem (CID 86038274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).