cyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate

C18H33NO4 — CID 163684011

IUPACcyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate
SMILESC=CCCCCC[C@@H](COCCOC)NC(=O)OC1CCCC1
InChIInChI=1S/C18H33NO4/c1-3-4-5-6-7-10-16(15-22-14-13-21-2)19-18(20)23-17-11-8-9-12-17/h3,16-17H,1,4-15H2,2H3,(H,19,20)/t16-/m0/s1
InChIKeyJNFVQSXKPCBPQB-INIZCTEOSA-N
MW327.47 g/mol
LogP3.82
Rot. Bonds13

About cyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate

cyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate (PubChem CID 163684011) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is cyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate
PubChem CID163684011
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Namecyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate
SMILESC=CCCCCC[C@@H](COCCOC)NC(=O)OC1CCCC1
InChIInChI=1S/C18H33NO4/c1-3-4-5-6-7-10-16(15-22-14-13-21-2)19-18(20)23-17-11-8-9-12-17/h3,16-17H,1,4-15H2,2H3,(H,19,20)/t16-/m0/s1
InChIKeyJNFVQSXKPCBPQB-INIZCTEOSA-N
XLogP3.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate?
The IUPAC name of cyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate (CID 163684011) is cyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate.
What is the SMILES notation for cyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate?
The canonical SMILES for cyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate is C=CCCCCC[C@@H](COCCOC)NC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate?
The InChIKey is JNFVQSXKPCBPQB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H33NO4/c1-3-4-5-6-7-10-16(15-22-14-13-21-2)19-18(20)23-17-11-8-9-12-17/h3,16-17H,1,4-15H2,2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of cyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate?
cyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate has a molecular weight of 327.47 g/mol, XLogP of 3.82, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[(2S)-1-(2-methoxyethoxy)non-8-en-2-yl]carbamate is sourced from PubChem (CID 163684011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).