1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol

C18H34O3Si — CID 54035071

IUPAC1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol
SMILESC=CC(C)(O)C=CC1C(C(C)(C)O)CCC1(C)O[Si](C)(C)C
InChIInChI=1S/C18H34O3Si/c1-9-17(4,20)12-10-15-14(16(2,3)19)11-13-18(15,5)21-22(6,7)8/h9-10,12,14-15,19-20H,1,11,13H2,2-8H3
InChIKeyLIISQYJMNSCQJM-UHFFFAOYSA-N
MW326.55 g/mol
LogP3.89
Rot. Bonds6

About 1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol

1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol (PubChem CID 54035071) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is 1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol.

Molecular Properties

Compound Name1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol
PubChem CID54035071
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol
SMILESC=CC(C)(O)C=CC1C(C(C)(C)O)CCC1(C)O[Si](C)(C)C
InChIInChI=1S/C18H34O3Si/c1-9-17(4,20)12-10-15-14(16(2,3)19)11-13-18(15,5)21-22(6,7)8/h9-10,12,14-15,19-20H,1,11,13H2,2-8H3
InChIKeyLIISQYJMNSCQJM-UHFFFAOYSA-N
XLogP3.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol?
The IUPAC name of 1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol (CID 54035071) is 1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol.
What is the SMILES notation for 1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol?
The canonical SMILES for 1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol is C=CC(C)(O)C=CC1C(C(C)(C)O)CCC1(C)O[Si](C)(C)C.
What is the InChIKey of 1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol?
The InChIKey is LIISQYJMNSCQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-9-17(4,20)12-10-15-14(16(2,3)19)11-13-18(15,5)21-22(6,7)8/h9-10,12,14-15,19-20H,1,11,13H2,2-8H3.
What are the key properties of 1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol?
1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol has a molecular weight of 326.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxypropan-2-yl)-2-methyl-2-trimethylsilyloxycyclopentyl]-3-methylpenta-1,4-dien-3-ol is sourced from PubChem (CID 54035071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).