6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene

C10H15Cl — CID 166712660

IUPAC6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene
SMILESCC(C)CC1=CC=CCC1Cl
InChIInChI=1S/C10H15Cl/c1-8(2)7-9-5-3-4-6-10(9)11/h3-5,8,10H,6-7H2,1-2H3
InChIKeyBQGGWYSVDNLDEJ-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.53
Rot. Bonds2

About 6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene

6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene (PubChem CID 166712660) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene
PubChem CID166712660
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene
SMILESCC(C)CC1=CC=CCC1Cl
InChIInChI=1S/C10H15Cl/c1-8(2)7-9-5-3-4-6-10(9)11/h3-5,8,10H,6-7H2,1-2H3
InChIKeyBQGGWYSVDNLDEJ-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine
CID 143285714
(2S)-2-[[6-[(1S)-1-chloroethyl]cyclohexa-1,3-dien-1-yl]methyl]oxetane
CID 175836753
1-(2-methylpropyl)cyclopenta-1,3-diene
CID 528164
4-methyl-1-(2-methylpropyl)cyclobutene
CID 123924362
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
2-ethylcyclohexa-2,4-dien-1-amine
CID 123185856
(1S,4S)-2,5-bis(2-methylpropyl)bicyclo[2.2.1]hepta-2,5-diene
CID 24773290
6-methyl-1-propylcyclohexa-1,3-diene
CID 123906774
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
2-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)propanoic acid
CID 149153499
1-ethyl-6-propylcyclohexa-1,3-diene
CID 91233524
2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
CID 155053244

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene?
The IUPAC name of 6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene (CID 166712660) is 6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene.
What is the SMILES notation for 6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene?
The canonical SMILES for 6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene is CC(C)CC1=CC=CCC1Cl.
What is the InChIKey of 6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene?
The InChIKey is BQGGWYSVDNLDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-8(2)7-9-5-3-4-6-10(9)11/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of 6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene?
6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene has a molecular weight of 170.68 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene is sourced from PubChem (CID 166712660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).