1-chloro-4-methylcyclohexa-1,3-diene;ethane

C9H15Cl — CID 143258352

IUPAC1-chloro-4-methylcyclohexa-1,3-diene;ethane
SMILESCC.CC1=CC=C(Cl)CC1
InChIInChI=1S/C7H9Cl.C2H6/c1-6-2-4-7(8)5-3-6;1-2/h2,4H,3,5H2,1H3;1-2H3
InChIKeyYMUMDTRGSGNCEO-UHFFFAOYSA-N
MW158.67 g/mol
LogP3.88
Rot. Bonds

About 1-chloro-4-methylcyclohexa-1,3-diene;ethane

1-chloro-4-methylcyclohexa-1,3-diene;ethane (PubChem CID 143258352) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is 1-chloro-4-methylcyclohexa-1,3-diene;ethane.

Molecular Properties

Compound Name1-chloro-4-methylcyclohexa-1,3-diene;ethane
PubChem CID143258352
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Name1-chloro-4-methylcyclohexa-1,3-diene;ethane
SMILESCC.CC1=CC=C(Cl)CC1
InChIInChI=1S/C7H9Cl.C2H6/c1-6-2-4-7(8)5-3-6;1-2/h2,4H,3,5H2,1H3;1-2H3
InChIKeyYMUMDTRGSGNCEO-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.67
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methylcyclohexa-1,3-diene-1-carbonyl chloride
CID 89058972
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine
CID 143366498
4-chloro-N-methylcyclohexa-1,3-dien-1-amine
CID 89073762
1-bromo-4-chlorocyclohexa-1,3-diene
CID 23089701
1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 123323176
methane;4-methylcyclohexa-1,3-dien-1-ol
CID 142050116
4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 153344986
1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene
CID 123312515
1-[(E)-but-2-en-2-yl]-4-methylcyclohexa-1,3-diene
CID 142494440
ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene
CID 144799120
CID 142144499
CID 142144499

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylcyclohexa-1,3-diene;ethane?
The IUPAC name of 1-chloro-4-methylcyclohexa-1,3-diene;ethane (CID 143258352) is 1-chloro-4-methylcyclohexa-1,3-diene;ethane.
What is the SMILES notation for 1-chloro-4-methylcyclohexa-1,3-diene;ethane?
The canonical SMILES for 1-chloro-4-methylcyclohexa-1,3-diene;ethane is CC.CC1=CC=C(Cl)CC1.
What is the InChIKey of 1-chloro-4-methylcyclohexa-1,3-diene;ethane?
The InChIKey is YMUMDTRGSGNCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl.C2H6/c1-6-2-4-7(8)5-3-6;1-2/h2,4H,3,5H2,1H3;1-2H3.
What are the key properties of 1-chloro-4-methylcyclohexa-1,3-diene;ethane?
1-chloro-4-methylcyclohexa-1,3-diene;ethane has a molecular weight of 158.67 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylcyclohexa-1,3-diene;ethane is sourced from PubChem (CID 143258352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).