bis[(E)-hept-1-enyl] sulfate

C14H26O4S — CID 101286727

IUPACbis[(E)-hept-1-enyl] sulfate
SMILESCCCCC/C=C/OS(=O)(=O)O/C=C/CCCCC
InChIInChI=1S/C14H26O4S/c1-3-5-7-9-11-13-17-19(15,16)18-14-12-10-8-6-4-2/h11-14H,3-10H2,1-2H3/b13-11+,14-12+
InChIKeyZFRWIRLZPHNQAE-PHEQNACWSA-N
MW290.42 g/mol
LogP4.45
Rot. Bonds12

About bis[(E)-hept-1-enyl] sulfate

bis[(E)-hept-1-enyl] sulfate (PubChem CID 101286727) has the molecular formula C14H26O4S and a molecular weight of 290.42 g/mol. Its IUPAC name is bis[(E)-hept-1-enyl] sulfate.

Molecular Properties

Compound Namebis[(E)-hept-1-enyl] sulfate
PubChem CID101286727
Molecular FormulaC14H26O4S
Molecular Weight290.42 g/mol
Exact Mass290.16
IUPAC Namebis[(E)-hept-1-enyl] sulfate
SMILESCCCCC/C=C/OS(=O)(=O)O/C=C/CCCCC
InChIInChI=1S/C14H26O4S/c1-3-5-7-9-11-13-17-19(15,16)18-14-12-10-8-6-4-2/h11-14H,3-10H2,1-2H3/b13-11+,14-12+
InChIKeyZFRWIRLZPHNQAE-PHEQNACWSA-N
XLogP4.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

calcium bis([(E)-heptadec-1-enyl] sulfate)
CID 101286801
calcium bis([(E)-tetradec-1-enyl] sulfate)
CID 101286792
sodium [(E)-octadec-1-enyl] sulfate
CID 23682132
hex-1-enyl methanesulfonate
CID 74392434
sodium [(E)-hex-1-enyl] sulfate
CID 101286764
1-triacont-1-enoxytriacont-1-ene
CID 173373575
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
(E)-1-methoxyhept-1-ene
CID 11126280
(Z)-1-methoxydec-1-ene
CID 10888349
1-hydroperoxyundec-1-ene
CID 140553152
(E)-1-methoxyoct-1-ene
CID 10964624
(E)-1-methoxytridec-1-ene
CID 87204968

Frequently Asked Questions

What is the IUPAC name of bis[(E)-hept-1-enyl] sulfate?
The IUPAC name of bis[(E)-hept-1-enyl] sulfate (CID 101286727) is bis[(E)-hept-1-enyl] sulfate.
What is the SMILES notation for bis[(E)-hept-1-enyl] sulfate?
The canonical SMILES for bis[(E)-hept-1-enyl] sulfate is CCCCC/C=C/OS(=O)(=O)O/C=C/CCCCC.
What is the InChIKey of bis[(E)-hept-1-enyl] sulfate?
The InChIKey is ZFRWIRLZPHNQAE-PHEQNACWSA-N. The full InChI is InChI=1S/C14H26O4S/c1-3-5-7-9-11-13-17-19(15,16)18-14-12-10-8-6-4-2/h11-14H,3-10H2,1-2H3/b13-11+,14-12+.
What are the key properties of bis[(E)-hept-1-enyl] sulfate?
bis[(E)-hept-1-enyl] sulfate has a molecular weight of 290.42 g/mol, XLogP of 4.45, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(E)-hept-1-enyl] sulfate is sourced from PubChem (CID 101286727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).