(3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene

C14H23Cl — CID 138963688

IUPAC(3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene
SMILESCCCC1=C(CCC)/C(=C/CCCCl)C1
InChIInChI=1S/C14H23Cl/c1-3-7-12-11-13(9-5-6-10-15)14(12)8-4-2/h9H,3-8,10-11H2,1-2H3/b13-9+
InChIKeyRGRWSBFUKMKDIU-UKTHLTGXSA-N
MW226.79 g/mol
LogP5.23
Rot. Bonds7

About (3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene

(3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene (PubChem CID 138963688) has the molecular formula C14H23Cl and a molecular weight of 226.79 g/mol. Its IUPAC name is (3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene.

Molecular Properties

Compound Name(3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene
PubChem CID138963688
Molecular FormulaC14H23Cl
Molecular Weight226.79 g/mol
Exact Mass226.15
IUPAC Name(3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene
SMILESCCCC1=C(CCC)/C(=C/CCCCl)C1
InChIInChI=1S/C14H23Cl/c1-3-7-12-11-13(9-5-6-10-15)14(12)8-4-2/h9H,3-8,10-11H2,1-2H3/b13-9+
InChIKeyRGRWSBFUKMKDIU-UKTHLTGXSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.79
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,5-Pentadecadiene, 15-chloro-, (3Z,5Z)-
CID 6438011
1-[(Z)-1,2-dichloroethenyl]cyclohexene
CID 135058109
Nonane, 5-(3-chloropropylidene)-
CID 10035768
3,5-Dodecadiene, 12-chloro-, (3Z,5Z)-
CID 20841399
(3E,5E)-12-chlorododeca-3,5-diene
CID 6450387
(2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene
CID 126638990
(4Z,6E)-1-chloropentadeca-4,6-diene
CID 11736653
1-[(Z)-2-Butyltellanyl-1-chloroethenyl]cyclohex-1-ene
CID 25016136
(Z)-1-chloro-8-ethyltetradec-7-ene
CID 56601212
(4e,6z)-1-Chloropentadeca-4,6-diene
CID 129866368
(E,4Z)-4-(chloromethylidene)non-2-ene
CID 134863990
(6E)-6-(chloromethyl)trideca-1,6-diene
CID 134897711

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene?
The IUPAC name of (3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene (CID 138963688) is (3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene.
What is the SMILES notation for (3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene?
The canonical SMILES for (3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene is CCCC1=C(CCC)/C(=C/CCCCl)C1.
What is the InChIKey of (3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene?
The InChIKey is RGRWSBFUKMKDIU-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H23Cl/c1-3-7-12-11-13(9-5-6-10-15)14(12)8-4-2/h9H,3-8,10-11H2,1-2H3/b13-9+.
What are the key properties of (3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene?
(3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene has a molecular weight of 226.79 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(4-chlorobutylidene)-1,2-dipropylcyclobutene is sourced from PubChem (CID 138963688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).