2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene

C10H15Cl — CID 67613377

IUPAC2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
SMILESCC12CCC(C=C1Cl)C2(C)C
InChIInChI=1S/C10H15Cl/c1-9(2)7-4-5-10(9,3)8(11)6-7/h6-7H,4-5H2,1-3H3
InChIKeyLTMAJDMKJWOXRK-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.57
Rot. Bonds

About 2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene

2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene (PubChem CID 67613377) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
PubChem CID67613377
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
SMILESCC12CCC(C=C1Cl)C2(C)C
InChIInChI=1S/C10H15Cl/c1-9(2)7-4-5-10(9,3)8(11)6-7/h6-7H,4-5H2,1-3H3
InChIKeyLTMAJDMKJWOXRK-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene (CID 67613377) is 2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene is CC12CCC(C=C1Cl)C2(C)C.
What is the InChIKey of 2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is LTMAJDMKJWOXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-9(2)7-4-5-10(9,3)8(11)6-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 170.68 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 67613377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).