(6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene

C19H33Cl — CID 130459982

IUPAC(6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene
SMILESCCCCCCCCCCCC1C=CC(CC)=C[C@@H]1Cl
InChIInChI=1S/C19H33Cl/c1-3-5-6-7-8-9-10-11-12-13-18-15-14-17(4-2)16-19(18)20/h14-16,18-19H,3-13H2,1-2H3/t18?,19-/m0/s1
InChIKeyFRYSSRZCTALGFR-GGYWPGCISA-N
MW296.93 g/mol
LogP7.04
Rot. Bonds11

About (6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene

(6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene (PubChem CID 130459982) has the molecular formula C19H33Cl and a molecular weight of 296.93 g/mol. Its IUPAC name is (6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene
PubChem CID130459982
Molecular FormulaC19H33Cl
Molecular Weight296.93 g/mol
Exact Mass296.23
IUPAC Name(6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene
SMILESCCCCCCCCCCCC1C=CC(CC)=C[C@@H]1Cl
InChIInChI=1S/C19H33Cl/c1-3-5-6-7-8-9-10-11-12-13-18-15-14-17(4-2)16-19(18)20/h14-16,18-19H,3-13H2,1-2H3/t18?,19-/m0/s1
InChIKeyFRYSSRZCTALGFR-GGYWPGCISA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.93
LogP ≤ 57.04
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-hexyl-2,3-dihydropyran-6-one
CID 134890393
chloro-dimethyl-(3-octylcyclopenta-2,4-dien-1-yl)silane
CID 141235544
5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene
CID 142148420
(4S,5S)-5-[(1S)-1-hydroxy-2-methylpropyl]-4-octylcyclopent-2-en-1-one
CID 134951927
3-decylcyclobutene
CID 174421846
2-butyl-5-methylcyclopenta-1,3-diene;hafnium
CID 174884437
6-pentyl-2-propylcyclohexa-1,3-diene
CID 144896807
5-undecylcyclopenta-1,3-diene
CID 141280590
3-heptyl-4,6-dihexyl-5-[(E)-oct-2-enyl]cyclohexene
CID 143109204
2-dotriacontyl-2,5-dihydropyran-6-one
CID 123999282
(2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one
CID 25138807
1,3-dihexylcyclopropene
CID 22621674

Frequently Asked Questions

What is the IUPAC name of (6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene?
The IUPAC name of (6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene (CID 130459982) is (6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene.
What is the SMILES notation for (6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene?
The canonical SMILES for (6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene is CCCCCCCCCCCC1C=CC(CC)=C[C@@H]1Cl.
What is the InChIKey of (6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene?
The InChIKey is FRYSSRZCTALGFR-GGYWPGCISA-N. The full InChI is InChI=1S/C19H33Cl/c1-3-5-6-7-8-9-10-11-12-13-18-15-14-17(4-2)16-19(18)20/h14-16,18-19H,3-13H2,1-2H3/t18?,19-/m0/s1.
What are the key properties of (6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene?
(6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene has a molecular weight of 296.93 g/mol, XLogP of 7.04, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene is sourced from PubChem (CID 130459982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).