2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid

C18H38O5Si3 — CID 154483085

IUPAC2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid
SMILESC[Si](C)(C)O[Si](C)(CCC=C(C(=O)O)C1CCCCC1O)O[Si](C)(C)C
InChIInChI=1S/C18H38O5Si3/c1-24(2,3)22-26(7,23-25(4,5)6)14-10-12-16(18(20)21)15-11-8-9-13-17(15)19/h12,15,17,19H,8-11,13-14H2,1-7H3,(H,20,21)
InChIKeyRHFMCVCOGVRWNO-UHFFFAOYSA-N
MW418.76 g/mol
LogP4.71
Rot. Bonds9

About 2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid

2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid (PubChem CID 154483085) has the molecular formula C18H38O5Si3 and a molecular weight of 418.76 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid.

Molecular Properties

Compound Name2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid
PubChem CID154483085
Molecular FormulaC18H38O5Si3
Molecular Weight418.76 g/mol
Exact Mass418.20
IUPAC Name2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid
SMILESC[Si](C)(C)O[Si](C)(CCC=C(C(=O)O)C1CCCCC1O)O[Si](C)(C)C
InChIInChI=1S/C18H38O5Si3/c1-24(2,3)22-26(7,23-25(4,5)6)14-10-12-16(18(20)21)15-11-8-9-13-17(15)19/h12,15,17,19H,8-11,13-14H2,1-7H3,(H,20,21)
InChIKeyRHFMCVCOGVRWNO-UHFFFAOYSA-N
XLogP4.71
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.76
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid?
The IUPAC name of 2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid (CID 154483085) is 2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid.
What is the SMILES notation for 2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid?
The canonical SMILES for 2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid is C[Si](C)(C)O[Si](C)(CCC=C(C(=O)O)C1CCCCC1O)O[Si](C)(C)C.
What is the InChIKey of 2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid?
The InChIKey is RHFMCVCOGVRWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O5Si3/c1-24(2,3)22-26(7,23-25(4,5)6)14-10-12-16(18(20)21)15-11-8-9-13-17(15)19/h12,15,17,19H,8-11,13-14H2,1-7H3,(H,20,21).
What are the key properties of 2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid?
2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid has a molecular weight of 418.76 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pent-2-enoic acid is sourced from PubChem (CID 154483085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).