9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate

C34H42FNO4Si — CID 58242043

IUPAC9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate
SMILESCC[C@H](/C=C/c1ccc(F)cc1OCCO[Si](C)(C)C(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C34H42FNO4Si/c1-7-26(19-17-24-16-18-25(35)22-32(24)38-20-21-40-41(5,6)34(2,3)4)36-33(37)39-23-31-29-14-10-8-12-27(29)28-13-9-11-15-30(28)31/h8-19,22,26,31H,7,20-21,23H2,1-6H3,(H,36,37)/b19-17+/t26-/m1/s1
InChIKeySLWHDYGHXAZEER-WFBCFIKKSA-N
MW575.80 g/mol
LogP8.56
Rot. Bonds11

About 9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate

9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate (PubChem CID 58242043) has the molecular formula C34H42FNO4Si and a molecular weight of 575.80 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate
PubChem CID58242043
Molecular FormulaC34H42FNO4Si
Molecular Weight575.80 g/mol
Exact Mass575.29
IUPAC Name9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate
SMILESCC[C@H](/C=C/c1ccc(F)cc1OCCO[Si](C)(C)C(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C34H42FNO4Si/c1-7-26(19-17-24-16-18-25(35)22-32(24)38-20-21-40-41(5,6)34(2,3)4)36-33(37)39-23-31-29-14-10-8-12-27(29)28-13-9-11-15-30(28)31/h8-19,22,26,31H,7,20-21,23H2,1-6H3,(H,36,37)/b19-17+/t26-/m1/s1
InChIKeySLWHDYGHXAZEER-WFBCFIKKSA-N
XLogP8.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.80
LogP ≤ 58.56
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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Related Compounds

9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate
CID 123810740
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
CID 16743318
tert-butyl (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoate
CID 11773868
tert-butyl N-[4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]but-3-yn-2-yl]carbamate
CID 72559630
(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
CID 59669456
tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3-fluorophenyl)methoxy]propanoate
CID 162698814
tert-butyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
CID 85251388
tert-butyl 3-chloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 85305821
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoropropanoate
CID 134850345
tert-butyl (2R,3R)-2-[[(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]-3-hydroxybutanoate
CID 135034150
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]pentanoic acid
CID 170899056
9H-fluoren-9-ylmethyl N-[4-(4-fluoro-2-formylphenyl)but-3-enyl]carbamate
CID 170492113

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate (CID 58242043) is 9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate is CC[C@H](/C=C/c1ccc(F)cc1OCCO[Si](C)(C)C(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate?
The InChIKey is SLWHDYGHXAZEER-WFBCFIKKSA-N. The full InChI is InChI=1S/C34H42FNO4Si/c1-7-26(19-17-24-16-18-25(35)22-32(24)38-20-21-40-41(5,6)34(2,3)4)36-33(37)39-23-31-29-14-10-8-12-27(29)28-13-9-11-15-30(28)31/h8-19,22,26,31H,7,20-21,23H2,1-6H3,(H,36,37)/b19-17+/t26-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate has a molecular weight of 575.80 g/mol, XLogP of 8.56, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(E,3R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-fluorophenyl]pent-1-en-3-yl]carbamate is sourced from PubChem (CID 58242043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).