[(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol

C27H33FO2Si — CID 67475419

IUPAC[(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol
SMILESCC(C)(CC[C@@H]1C[C@@]1(CO)C1C=CC=C(F)C1)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33FO2Si/c1-26(2,17-16-22-19-27(22,20-29)21-10-9-11-23(28)18-21)31(30,24-12-5-3-6-13-24)25-14-7-4-8-15-25/h3-15,21-22,29-30H,16-20H2,1-2H3/t21?,22-,27-/m1/s1
InChIKeyCYBVIUBYDXPIBW-WUYOWBIRSA-N
MW436.64 g/mol
LogP4.73
Rot. Bonds8

About [(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol

[(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol (PubChem CID 67475419) has the molecular formula C27H33FO2Si and a molecular weight of 436.64 g/mol. Its IUPAC name is [(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol
PubChem CID67475419
Molecular FormulaC27H33FO2Si
Molecular Weight436.64 g/mol
Exact Mass436.22
IUPAC Name[(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol
SMILESCC(C)(CC[C@@H]1C[C@@]1(CO)C1C=CC=C(F)C1)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33FO2Si/c1-26(2,17-16-22-19-27(22,20-29)21-10-9-11-23(28)18-21)31(30,24-12-5-3-6-13-24)25-14-7-4-8-15-25/h3-15,21-22,29-30H,16-20H2,1-2H3/t21?,22-,27-/m1/s1
InChIKeyCYBVIUBYDXPIBW-WUYOWBIRSA-N
XLogP4.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol?
The IUPAC name of [(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol (CID 67475419) is [(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol?
The canonical SMILES for [(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol is CC(C)(CC[C@@H]1C[C@@]1(CO)C1C=CC=C(F)C1)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol?
The InChIKey is CYBVIUBYDXPIBW-WUYOWBIRSA-N. The full InChI is InChI=1S/C27H33FO2Si/c1-26(2,17-16-22-19-27(22,20-29)21-10-9-11-23(28)18-21)31(30,24-12-5-3-6-13-24)25-14-7-4-8-15-25/h3-15,21-22,29-30H,16-20H2,1-2H3/t21?,22-,27-/m1/s1.
What are the key properties of [(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol?
[(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol has a molecular weight of 436.64 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclopropyl]methanol is sourced from PubChem (CID 67475419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).