(E,4Z)-4-(chloromethylidene)non-2-ene

C10H17Cl — CID 134863990

IUPAC(E,4Z)-4-(chloromethylidene)non-2-ene
SMILESC/C=C/C(=C\Cl)CCCCC
InChIInChI=1S/C10H17Cl/c1-3-5-6-8-10(9-11)7-4-2/h4,7,9H,3,5-6,8H2,1-2H3/b7-4+,10-9+
InChIKeyXKKTVMZGHMRCQN-OXSFDCBASA-N
MW172.70 g/mol
LogP4.27
Rot. Bonds5

About (E,4Z)-4-(chloromethylidene)non-2-ene

(E,4Z)-4-(chloromethylidene)non-2-ene (PubChem CID 134863990) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is (E,4Z)-4-(chloromethylidene)non-2-ene.

Molecular Properties

Compound Name(E,4Z)-4-(chloromethylidene)non-2-ene
PubChem CID134863990
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name(E,4Z)-4-(chloromethylidene)non-2-ene
SMILESC/C=C/C(=C\Cl)CCCCC
InChIInChI=1S/C10H17Cl/c1-3-5-6-8-10(9-11)7-4-2/h4,7,9H,3,5-6,8H2,1-2H3/b7-4+,10-9+
InChIKeyXKKTVMZGHMRCQN-OXSFDCBASA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E,4E)-4-ethylidenedodec-2-ene
CID 144930771
3-prop-1-enylundec-2-enal
CID 54027227
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
(Z)-5-[(E)-prop-1-enyl]dec-5-ene
CID 102402964
3-ethylideneoct-1-ene
CID 91511297
but-2-enoic acid;tetracosane
CID 159276528
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
(E)-4-methylideneundec-2-ene
CID 13425645
(E)-1-chloronon-1-en-3-one
CID 12585287
nonadeca-2,12-dien-4-one
CID 151605854

Frequently Asked Questions

What is the IUPAC name of (E,4Z)-4-(chloromethylidene)non-2-ene?
The IUPAC name of (E,4Z)-4-(chloromethylidene)non-2-ene (CID 134863990) is (E,4Z)-4-(chloromethylidene)non-2-ene.
What is the SMILES notation for (E,4Z)-4-(chloromethylidene)non-2-ene?
The canonical SMILES for (E,4Z)-4-(chloromethylidene)non-2-ene is C/C=C/C(=C\Cl)CCCCC.
What is the InChIKey of (E,4Z)-4-(chloromethylidene)non-2-ene?
The InChIKey is XKKTVMZGHMRCQN-OXSFDCBASA-N. The full InChI is InChI=1S/C10H17Cl/c1-3-5-6-8-10(9-11)7-4-2/h4,7,9H,3,5-6,8H2,1-2H3/b7-4+,10-9+.
What are the key properties of (E,4Z)-4-(chloromethylidene)non-2-ene?
(E,4Z)-4-(chloromethylidene)non-2-ene has a molecular weight of 172.70 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-4-(chloromethylidene)non-2-ene is sourced from PubChem (CID 134863990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).