9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate

C21H25NO4 — CID 22492775

IUPAC9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate
SMILESO=C(NCCCCC(O)CO)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO4/c23-13-15(24)7-5-6-12-22-21(25)26-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20,23-24H,5-7,12-14H2,(H,22,25)
InChIKeySLKCKAQUPVULLX-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.05
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate

9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate (PubChem CID 22492775) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate
PubChem CID22492775
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate
SMILESO=C(NCCCCC(O)CO)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO4/c23-13-15(24)7-5-6-12-22-21(25)26-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20,23-24H,5-7,12-14H2,(H,22,25)
InChIKeySLKCKAQUPVULLX-UHFFFAOYSA-N
XLogP3.05
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2,3-dihydroxypropoxy)propyl]carbamate
CID 58969842
[(2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl] (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 54560651
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
methyl (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 75487884
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 71250242
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;hydrochloride
CID 74765035
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate
CID 145385577
5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]pentanoic acid
CID 156889446
2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 166508224

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate (CID 22492775) is 9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate is O=C(NCCCCC(O)CO)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate?
The InChIKey is SLKCKAQUPVULLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c23-13-15(24)7-5-6-12-22-21(25)26-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20,23-24H,5-7,12-14H2,(H,22,25).
What are the key properties of 9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate?
9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate has a molecular weight of 355.43 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate is sourced from PubChem (CID 22492775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).