(5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene

C8H11Cl — CID 130391076

IUPAC(5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene
SMILESCC1=C(Cl)C=C[C@H](C)C1
InChIInChI=1S/C8H11Cl/c1-6-3-4-8(9)7(2)5-6/h3-4,6H,5H2,1-2H3/t6-/m0/s1
InChIKeyVOPBUDWRSXIPPZ-LURJTMIESA-N
MW142.63 g/mol
LogP3.10
Rot. Bonds

About (5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene

(5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene (PubChem CID 130391076) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is (5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene
PubChem CID130391076
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name(5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene
SMILESCC1=C(Cl)C=C[C@H](C)C1
InChIInChI=1S/C8H11Cl/c1-6-3-4-8(9)7(2)5-6/h3-4,6H,5H2,1-2H3/t6-/m0/s1
InChIKeyVOPBUDWRSXIPPZ-LURJTMIESA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.63
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-5-methylcyclohexa-2,4-diene-1-thiol
CID 141163660
2-chloro-5-methyl-1-nitrocyclohexa-1,3-diene
CID 163618313
(2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen
CID 143344740
(5S)-1-fluoro-2,5-dimethylcyclohexa-1,3-diene
CID 70325778
3,6-dimethyl-6,7-dihydro-1-benzothiophene
CID 143335332
1,2-dibromo-5-methylcyclohexa-1,3-diene
CID 163708440
N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine
CID 143795756
3-but-3-en-2-yl-2,5-dimethyl-4,5-dihydro-1H-indene
CID 153352135
2,5-dimethyl-4,5-dihydro-3H-indole
CID 162195264
CID 89168186
CID 89168186
2-chloro-1,6-dimethyl-5-methylsulfanylcycloocta-1,3,5-triene
CID 123327872
2,7-dimethyl-1,2-dihydronaphthalene;ethane
CID 142943759

Frequently Asked Questions

What is the IUPAC name of (5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of (5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene (CID 130391076) is (5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for (5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for (5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene is CC1=C(Cl)C=C[C@H](C)C1.
What is the InChIKey of (5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene?
The InChIKey is VOPBUDWRSXIPPZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H11Cl/c1-6-3-4-8(9)7(2)5-6/h3-4,6H,5H2,1-2H3/t6-/m0/s1.
What are the key properties of (5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene?
(5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene has a molecular weight of 142.63 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 130391076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).