1,3-dichloro-2-propylcyclohexa-1,3-diene;methane

C10H16Cl2 — CID 167701959

IUPAC1,3-dichloro-2-propylcyclohexa-1,3-diene;methane
SMILESC.CCCC1=C(Cl)CCC=C1Cl
InChIInChI=1S/C9H12Cl2.CH4/c1-2-4-7-8(10)5-3-6-9(7)11;/h5H,2-4,6H2,1H3;1H4
InChIKeyYNHAZIHOSLXPNK-UHFFFAOYSA-N
MW207.14 g/mol
LogP4.83
Rot. Bonds2

About 1,3-dichloro-2-propylcyclohexa-1,3-diene;methane

1,3-dichloro-2-propylcyclohexa-1,3-diene;methane (PubChem CID 167701959) has the molecular formula C10H16Cl2 and a molecular weight of 207.14 g/mol. Its IUPAC name is 1,3-dichloro-2-propylcyclohexa-1,3-diene;methane.

Molecular Properties

Compound Name1,3-dichloro-2-propylcyclohexa-1,3-diene;methane
PubChem CID167701959
Molecular FormulaC10H16Cl2
Molecular Weight207.14 g/mol
Exact Mass206.06
IUPAC Name1,3-dichloro-2-propylcyclohexa-1,3-diene;methane
SMILESC.CCCC1=C(Cl)CCC=C1Cl
InChIInChI=1S/C9H12Cl2.CH4/c1-2-4-7-8(10)5-3-6-9(7)11;/h5H,2-4,6H2,1H3;1H4
InChIKeyYNHAZIHOSLXPNK-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-3-propylcyclohexa-1,3-diene-1-carbaldehyde
CID 641145
2,6-dichlorocyclohexa-1,5-diene-1-carbaldehyde
CID 142221757
2-propylcyclopent-2-en-1-imine
CID 91165692
1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole
CID 145028183
1-hexylcyclobutene
CID 86205685
1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane
CID 145378812
1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene
CID 173063942
1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene
CID 173062358
5,6-dichlorocyclohexa-1,5-dien-1-ol
CID 21443528
3-chloro-1-methyl-2-propan-2-ylcyclohexa-1,3-diene
CID 153352774
hafnium;2-propylcyclopenta-1,3-diene;difluoride
CID 174480165
5-methylidene-1-propylcyclodecene
CID 123607448

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-propylcyclohexa-1,3-diene;methane?
The IUPAC name of 1,3-dichloro-2-propylcyclohexa-1,3-diene;methane (CID 167701959) is 1,3-dichloro-2-propylcyclohexa-1,3-diene;methane.
What is the SMILES notation for 1,3-dichloro-2-propylcyclohexa-1,3-diene;methane?
The canonical SMILES for 1,3-dichloro-2-propylcyclohexa-1,3-diene;methane is C.CCCC1=C(Cl)CCC=C1Cl.
What is the InChIKey of 1,3-dichloro-2-propylcyclohexa-1,3-diene;methane?
The InChIKey is YNHAZIHOSLXPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2.CH4/c1-2-4-7-8(10)5-3-6-9(7)11;/h5H,2-4,6H2,1H3;1H4.
What are the key properties of 1,3-dichloro-2-propylcyclohexa-1,3-diene;methane?
1,3-dichloro-2-propylcyclohexa-1,3-diene;methane has a molecular weight of 207.14 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-propylcyclohexa-1,3-diene;methane is sourced from PubChem (CID 167701959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).