2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene

C12H17Cl — CID 171848934

IUPAC2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=CC(Cl)=C(C2CC2)CC1
InChIInChI=1S/C12H17Cl/c1-8(2)10-5-6-11(9-3-4-9)12(13)7-10/h7-9H,3-6H2,1-2H3
InChIKeySEXMQSXTTZRYCM-UHFFFAOYSA-N
MW196.72 g/mol
LogP4.27
Rot. Bonds2

About 2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene

2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene (PubChem CID 171848934) has the molecular formula C12H17Cl and a molecular weight of 196.72 g/mol. Its IUPAC name is 2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene
PubChem CID171848934
Molecular FormulaC12H17Cl
Molecular Weight196.72 g/mol
Exact Mass196.10
IUPAC Name2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=CC(Cl)=C(C2CC2)CC1
InChIInChI=1S/C12H17Cl/c1-8(2)10-5-6-11(9-3-4-9)12(13)7-10/h7-9H,3-6H2,1-2H3
InChIKeySEXMQSXTTZRYCM-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.72
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-6-propan-2-yl-2,3,4,5-tetrahydro-1H-indene
CID 144533916
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CID 166537853
1-chloro-4-cyclopropyl-2,5-di(propan-2-yl)benzene
CID 167302723
CID 123290061
CID 123290061
2-fluoro-1-methoxy-4-propan-2-ylcyclohexa-1,3-diene
CID 130224384
6-methyl-4-propan-2-yl-2,3-dihydropyridine
CID 123604478
4-chloro-2-cyclopropyl-3-fluoro-6-propan-2-ylaniline
CID 137443364
3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole
CID 166937927
3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene
CID 159952981
3-bromo-1-propan-2-ylcyclohexa-1,3-diene
CID 22253898
4-chloro-5-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 175631703
4-fluoro-1-propan-2-ylcyclohexene
CID 69179605

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene (CID 171848934) is 2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene is CC(C)C1=CC(Cl)=C(C2CC2)CC1.
What is the InChIKey of 2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is SEXMQSXTTZRYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl/c1-8(2)10-5-6-11(9-3-4-9)12(13)7-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene?
2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 196.72 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclopropyl-4-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 171848934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).