1-methoxy-2,3,3,5,5-pentamethylcyclopentene

C11H20O — CID 121220534

IUPAC1-methoxy-2,3,3,5,5-pentamethylcyclopentene
SMILESCOC1=C(C)C(C)(C)CC1(C)C
InChIInChI=1S/C11H20O/c1-8-9(12-6)11(4,5)7-10(8,2)3/h7H2,1-6H3
InChIKeyHTVPKVXZUZIZFA-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.36
Rot. Bonds1

About 1-methoxy-2,3,3,5,5-pentamethylcyclopentene

1-methoxy-2,3,3,5,5-pentamethylcyclopentene (PubChem CID 121220534) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methoxy-2,3,3,5,5-pentamethylcyclopentene.

Molecular Properties

Compound Name1-methoxy-2,3,3,5,5-pentamethylcyclopentene
PubChem CID121220534
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-methoxy-2,3,3,5,5-pentamethylcyclopentene
SMILESCOC1=C(C)C(C)(C)CC1(C)C
InChIInChI=1S/C11H20O/c1-8-9(12-6)11(4,5)7-10(8,2)3/h7H2,1-6H3
InChIKeyHTVPKVXZUZIZFA-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3,3,5,5-pentamethylcyclopentene?
The IUPAC name of 1-methoxy-2,3,3,5,5-pentamethylcyclopentene (CID 121220534) is 1-methoxy-2,3,3,5,5-pentamethylcyclopentene.
What is the SMILES notation for 1-methoxy-2,3,3,5,5-pentamethylcyclopentene?
The canonical SMILES for 1-methoxy-2,3,3,5,5-pentamethylcyclopentene is COC1=C(C)C(C)(C)CC1(C)C.
What is the InChIKey of 1-methoxy-2,3,3,5,5-pentamethylcyclopentene?
The InChIKey is HTVPKVXZUZIZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8-9(12-6)11(4,5)7-10(8,2)3/h7H2,1-6H3.
What are the key properties of 1-methoxy-2,3,3,5,5-pentamethylcyclopentene?
1-methoxy-2,3,3,5,5-pentamethylcyclopentene has a molecular weight of 168.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3,3,5,5-pentamethylcyclopentene is sourced from PubChem (CID 121220534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).