8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol

C18H32O4Si — CID 71054641

IUPAC8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC(C)(CCCC#CC1(O)CCC2(CC1)OCCO2)[Si](C)(C)O
InChIInChI=1S/C18H32O4Si/c1-16(2,23(3,4)20)8-6-5-7-9-17(19)10-12-18(13-11-17)21-14-15-22-18/h19-20H,5-6,8,10-15H2,1-4H3
InChIKeyXHEUCEXSLXGDQI-UHFFFAOYSA-N
MW340.54 g/mol
LogP3.19
Rot. Bonds4

About 8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol

8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 71054641) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is 8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID71054641
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Name8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC(C)(CCCC#CC1(O)CCC2(CC1)OCCO2)[Si](C)(C)O
InChIInChI=1S/C18H32O4Si/c1-16(2,23(3,4)20)8-6-5-7-9-17(19)10-12-18(13-11-17)21-14-15-22-18/h19-20H,5-6,8,10-15H2,1-4H3
InChIKeyXHEUCEXSLXGDQI-UHFFFAOYSA-N
XLogP3.19
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol (CID 71054641) is 8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol is CC(C)(CCCC#CC1(O)CCC2(CC1)OCCO2)[Si](C)(C)O.
What is the InChIKey of 8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is XHEUCEXSLXGDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-16(2,23(3,4)20)8-6-5-7-9-17(19)10-12-18(13-11-17)21-14-15-22-18/h19-20H,5-6,8,10-15H2,1-4H3.
What are the key properties of 8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol?
8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 340.54 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 71054641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).