(2E,7E)-deca-2,7,9-trienoyl chloride

C10H13ClO — CID 11137814

IUPAC(2E,7E)-deca-2,7,9-trienoyl chloride
SMILESC=C/C=C/CCC/C=C/C(=O)Cl
InChIInChI=1S/C10H13ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-4,8-9H,1,5-7H2/b4-3+,9-8+
InChIKeyGROPHFUDKRYGHV-DDJGDYJSSA-N
MW184.67 g/mol
LogP3.22
Rot. Bonds6

About (2E,7E)-deca-2,7,9-trienoyl chloride

(2E,7E)-deca-2,7,9-trienoyl chloride (PubChem CID 11137814) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is (2E,7E)-deca-2,7,9-trienoyl chloride.

Molecular Properties

Compound Name(2E,7E)-deca-2,7,9-trienoyl chloride
PubChem CID11137814
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name(2E,7E)-deca-2,7,9-trienoyl chloride
SMILESC=C/C=C/CCC/C=C/C(=O)Cl
InChIInChI=1S/C10H13ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-4,8-9H,1,5-7H2/b4-3+,9-8+
InChIKeyGROPHFUDKRYGHV-DDJGDYJSSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-phenyldeca-2,7,9-trien-1-one
CID 71347729
(5E)-octa-5,7-dienamide
CID 15011834
ethyl (2E,8E)-undeca-2,8,10-trienoate
CID 15013142
methyl (2E,11E)-7-oxotetradeca-2,11,13-trienoate
CID 10868711
deca-7,9-dien-3-one
CID 141369431
sodium nona-6,8-dienoate
CID 161139818
deca-7,9-dien-1-ol
CID 54432323
dodeca-9,11-dienal
CID 543135
(14E)-heptadeca-14,16-dien-1-ol
CID 163204911
heptadeca-14,16-dien-1-ol
CID 163204876
pentadeca-12,14-dien-1-ol
CID 163204807
(2Z)-docosa-2,4,6,8,10,12-hexaenoyl chloride
CID 90343148

Frequently Asked Questions

What is the IUPAC name of (2E,7E)-deca-2,7,9-trienoyl chloride?
The IUPAC name of (2E,7E)-deca-2,7,9-trienoyl chloride (CID 11137814) is (2E,7E)-deca-2,7,9-trienoyl chloride.
What is the SMILES notation for (2E,7E)-deca-2,7,9-trienoyl chloride?
The canonical SMILES for (2E,7E)-deca-2,7,9-trienoyl chloride is C=C/C=C/CCC/C=C/C(=O)Cl.
What is the InChIKey of (2E,7E)-deca-2,7,9-trienoyl chloride?
The InChIKey is GROPHFUDKRYGHV-DDJGDYJSSA-N. The full InChI is InChI=1S/C10H13ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-4,8-9H,1,5-7H2/b4-3+,9-8+.
What are the key properties of (2E,7E)-deca-2,7,9-trienoyl chloride?
(2E,7E)-deca-2,7,9-trienoyl chloride has a molecular weight of 184.67 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7E)-deca-2,7,9-trienoyl chloride is sourced from PubChem (CID 11137814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).