(5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene

C11H17Cl — CID 124639675

IUPAC(5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene
SMILESCC[C@H](Cl)[C@@]1(C)C=CC=C(C)C1
InChIInChI=1S/C11H17Cl/c1-4-10(12)11(3)7-5-6-9(2)8-11/h5-7,10H,4,8H2,1-3H3/t10-,11-/m0/s1
InChIKeyXAIGBRZAVKWJTJ-QWRGUYRKSA-N
MW184.71 g/mol
LogP3.92
Rot. Bonds2

About (5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene

(5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene (PubChem CID 124639675) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is (5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene
PubChem CID124639675
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name(5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene
SMILESCC[C@H](Cl)[C@@]1(C)C=CC=C(C)C1
InChIInChI=1S/C11H17Cl/c1-4-10(12)11(3)7-5-6-9(2)8-11/h5-7,10H,4,8H2,1-3H3/t10-,11-/m0/s1
InChIKeyXAIGBRZAVKWJTJ-QWRGUYRKSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-[(1R)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene
CID 124639676
1-(2-bromoethyl)-5-methylcyclohexa-2,4-dien-1-ol
CID 174615430
1,5-dimethyl-5-propylsulfonylcyclohexa-1,3-diene
CID 141111957
1,5-dimethylcyclohexa-2,4-diene-1-sulfinic acid
CID 163846688
5-(4-bromobutoxy)-1,5-dimethylcyclohexa-1,3-diene
CID 141443733
1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine
CID 141237445
azanium 1,5-dimethylcyclohexa-2,4-diene-1-sulfonate
CID 141478891
5-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-ol
CID 67420947
5-[3-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-1-phenylbutyl]-2-hydroxybenzoic acid
CID 139749472
4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride
CID 143972751
1,1-dihydroxypropyl 1,5-dimethylcyclohexa-2,4-diene-1-sulfonate
CID 141237586
5-methyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol
CID 139919540

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of (5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene (CID 124639675) is (5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for (5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for (5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene is CC[C@H](Cl)[C@@]1(C)C=CC=C(C)C1.
What is the InChIKey of (5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene?
The InChIKey is XAIGBRZAVKWJTJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H17Cl/c1-4-10(12)11(3)7-5-6-9(2)8-11/h5-7,10H,4,8H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene?
(5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene has a molecular weight of 184.71 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 124639675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).