1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene

C10H13Cl — CID 175915204

IUPAC1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene
SMILESCC1C=CC=C(Cl)C1C1CC1
InChIInChI=1S/C10H13Cl/c1-7-3-2-4-9(11)10(7)8-5-6-8/h2-4,7-8,10H,5-6H2,1H3
InChIKeyUQBSGINXFYQJLD-UHFFFAOYSA-N
MW168.67 g/mol
LogP3.34
Rot. Bonds1

About 1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene

1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene (PubChem CID 175915204) has the molecular formula C10H13Cl and a molecular weight of 168.67 g/mol. Its IUPAC name is 1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene
PubChem CID175915204
Molecular FormulaC10H13Cl
Molecular Weight168.67 g/mol
Exact Mass168.07
IUPAC Name1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene
SMILESCC1C=CC=C(Cl)C1C1CC1
InChIInChI=1S/C10H13Cl/c1-7-3-2-4-9(11)10(7)8-5-6-8/h2-4,7-8,10H,5-6H2,1H3
InChIKeyUQBSGINXFYQJLD-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.67
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-2-(2-chloro-6-methylcyclohexa-2,4-dien-1-yl)cyclohexan-1-one
CID 158458221
(1S)-2-chloro-6-methylcyclohexa-2,4-dien-1-ol
CID 67478277
(6R)-1-chloro-5-(5-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-6-methoxycyclohexa-1,3-diene
CID 90975876
ethane;4-methyl-2,3,3a,4-tetrahydro-1H-indene
CID 145030095
1-chloro-3,7-dimethylcyclohepta-1,3,5-triene
CID 143627296
5,6-dimethylcyclohexa-1,3-diene
CID 564578
3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 138509304
7-(2-chlorophenyl)bicyclo[2.2.1]heptane
CID 10262419
5-methylcyclohexa-1,3-dien-1-amine
CID 67612284
8-methyl-8,8a-dihydro-4H-chromene
CID 91606513
6-methyl-4,5,6,7-tetrahydro-3aH-indene
CID 91083284
(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
CID 70326868

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene?
The IUPAC name of 1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene (CID 175915204) is 1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene is CC1C=CC=C(Cl)C1C1CC1.
What is the InChIKey of 1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene?
The InChIKey is UQBSGINXFYQJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl/c1-7-3-2-4-9(11)10(7)8-5-6-8/h2-4,7-8,10H,5-6H2,1H3.
What are the key properties of 1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene?
1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene has a molecular weight of 168.67 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 175915204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).