[8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol

C18H36O4Si — CID 140813897

IUPAC[8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCCC1(CO)CCC2(CC1)OCCO2
InChIInChI=1S/C18H36O4Si/c1-16(2,3)23(4,5)22-12-6-7-17(15-19)8-10-18(11-9-17)20-13-14-21-18/h19H,6-15H2,1-5H3
InChIKeyKVTMYLJCIJKDNS-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.08
Rot. Bonds6

About [8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol

[8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol (PubChem CID 140813897) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is [8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol.

Molecular Properties

Compound Name[8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol
PubChem CID140813897
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name[8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCCC1(CO)CCC2(CC1)OCCO2
InChIInChI=1S/C18H36O4Si/c1-16(2,3)23(4,5)22-12-6-7-17(15-19)8-10-18(11-9-17)20-13-14-21-18/h19H,6-15H2,1-5H3
InChIKeyKVTMYLJCIJKDNS-UHFFFAOYSA-N
XLogP4.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The IUPAC name of [8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol (CID 140813897) is [8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol.
What is the SMILES notation for [8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The canonical SMILES for [8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol is CC(C)(C)[Si](C)(C)OCCCC1(CO)CCC2(CC1)OCCO2.
What is the InChIKey of [8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The InChIKey is KVTMYLJCIJKDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-16(2,3)23(4,5)22-12-6-7-17(15-19)8-10-18(11-9-17)20-13-14-21-18/h19H,6-15H2,1-5H3.
What are the key properties of [8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
[8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol has a molecular weight of 344.57 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,4-dioxaspiro[4.5]decan-8-yl]methanol is sourced from PubChem (CID 140813897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).