methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate

C11H16O2 — CID 143459698

IUPACmethyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate
SMILESCOC(=O)C(C)C1=CC=CCC1C
InChIInChI=1S/C11H16O2/c1-8-6-4-5-7-10(8)9(2)11(12)13-3/h4-5,7-9H,6H2,1-3H3
InChIKeyWEKFSWHOPYCOGU-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.32
Rot. Bonds2

About methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate

methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate (PubChem CID 143459698) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate
PubChem CID143459698
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namemethyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate
SMILESCOC(=O)C(C)C1=CC=CCC1C
InChIInChI=1S/C11H16O2/c1-8-6-4-5-7-10(8)9(2)11(12)13-3/h4-5,7-9H,6H2,1-3H3
InChIKeyWEKFSWHOPYCOGU-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
methyl 2-cyclopenta-1,3-dien-1-ylpropanoate
CID 22758020
2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
CID 142113831
6-methylcyclohexa-1,3-diene-1-carboxamide
CID 55289117
(2R)-2-[ethyl(methyl)amino]-2-(6-methylcyclohexa-1,3-dien-1-yl)acetic acid
CID 163469662
(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 139334579
2-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)propanoic acid
CID 149153499
1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine
CID 143285714
methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate
CID 92670417
[2-[hydroxy(methoxy)methyl]cyclohexa-2,4-dien-1-yl]-methoxymethanol
CID 70882493
methyl 2-hydroxy-2-(3-methylcyclobuten-1-yl)acetate
CID 23506137
methyl 2-[4-(1-oxopropan-2-yl)phenyl]propanoate
CID 605628

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate?
The IUPAC name of methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate (CID 143459698) is methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate.
What is the SMILES notation for methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate?
The canonical SMILES for methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate is COC(=O)C(C)C1=CC=CCC1C.
What is the InChIKey of methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate?
The InChIKey is WEKFSWHOPYCOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-6-4-5-7-10(8)9(2)11(12)13-3/h4-5,7-9H,6H2,1-3H3.
What are the key properties of methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate?
methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate has a molecular weight of 180.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate is sourced from PubChem (CID 143459698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).