undeca-4,5-dienyl sulfamate

C11H21NO3S — CID 118600711

IUPACundeca-4,5-dienyl sulfamate
SMILESCCCCCC=C=CCCCOS(N)(=O)=O
InChIInChI=1S/C11H21NO3S/c1-2-3-4-5-6-7-8-9-10-11-15-16(12,13)14/h6,8H,2-5,9-11H2,1H3,(H2,12,13,14)
InChIKeyLQTNTBBDAJMBIP-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.28
Rot. Bonds9

About undeca-4,5-dienyl sulfamate

undeca-4,5-dienyl sulfamate (PubChem CID 118600711) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is undeca-4,5-dienyl sulfamate.

Molecular Properties

Compound Nameundeca-4,5-dienyl sulfamate
PubChem CID118600711
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Nameundeca-4,5-dienyl sulfamate
SMILESCCCCCC=C=CCCCOS(N)(=O)=O
InChIInChI=1S/C11H21NO3S/c1-2-3-4-5-6-7-8-9-10-11-15-16(12,13)14/h6,8H,2-5,9-11H2,1H3,(H2,12,13,14)
InChIKeyLQTNTBBDAJMBIP-UHFFFAOYSA-N
XLogP2.28
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecyl sulfamate;indigane
CID 174847120
CID 87410650
CID 87410650
pentacosa-12,13-diene
CID 174365678
octadeca-5,6-diene
CID 141110817
[(Z)-hex-4-enyl] sulfamate
CID 91862963
ethyl trideca-3,4-dienoate
CID 24976454
dec-4-enyl methanesulfonate
CID 123139134
dodeca-3,4-diene
CID 91492112
ethyl N-undeca-4,5-dienylcarbamate
CID 102467257
1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate
CID 102431348
tetradeca-2,3-dienal
CID 25179784
octadeca-2,3-dien-1-ol
CID 138969077

Frequently Asked Questions

What is the IUPAC name of undeca-4,5-dienyl sulfamate?
The IUPAC name of undeca-4,5-dienyl sulfamate (CID 118600711) is undeca-4,5-dienyl sulfamate.
What is the SMILES notation for undeca-4,5-dienyl sulfamate?
The canonical SMILES for undeca-4,5-dienyl sulfamate is CCCCCC=C=CCCCOS(N)(=O)=O.
What is the InChIKey of undeca-4,5-dienyl sulfamate?
The InChIKey is LQTNTBBDAJMBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-2-3-4-5-6-7-8-9-10-11-15-16(12,13)14/h6,8H,2-5,9-11H2,1H3,(H2,12,13,14).
What are the key properties of undeca-4,5-dienyl sulfamate?
undeca-4,5-dienyl sulfamate has a molecular weight of 247.36 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-4,5-dienyl sulfamate is sourced from PubChem (CID 118600711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).