1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol

CH14O7Si6 — CID 174815389

IUPAC1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol
SMILESOC[SiH]1O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O1
InChIInChI=1S/CH14O7Si6/c2-1-14-7-12-5-10-3-9-4-11-6-13-8-14/h2,14H,1,9-13H2
InChIKeyLCICELRVZILFSN-UHFFFAOYSA-N
MW306.63 g/mol
LogP-6.15
Rot. Bonds1

About 1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol

1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol (PubChem CID 174815389) has the molecular formula CH14O7Si6 and a molecular weight of 306.63 g/mol. Its IUPAC name is 1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol.

Molecular Properties

Compound Name1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol
PubChem CID174815389
Molecular FormulaCH14O7Si6
Molecular Weight306.63 g/mol
Exact Mass305.94
IUPAC Name1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol
SMILESOC[SiH]1O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O1
InChIInChI=1S/CH14O7Si6/c2-1-14-7-12-5-10-3-9-4-11-6-13-8-14/h2,14H,1,9-13H2
InChIKeyLCICELRVZILFSN-UHFFFAOYSA-N
XLogP-6.15
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 5-6.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol?
The IUPAC name of 1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol (CID 174815389) is 1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol.
What is the SMILES notation for 1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol?
The canonical SMILES for 1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol is OC[SiH]1O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O1.
What is the InChIKey of 1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol?
The InChIKey is LCICELRVZILFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH14O7Si6/c2-1-14-7-12-5-10-3-9-4-11-6-13-8-14/h2,14H,1,9-13H2.
What are the key properties of 1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol?
1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol has a molecular weight of 306.63 g/mol, XLogP of -6.15, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-ylmethanol is sourced from PubChem (CID 174815389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).