methyl 2-(6-methylcyclohexen-1-yl)acetate

C10H16O2 — CID 13301905

IUPACmethyl 2-(6-methylcyclohexen-1-yl)acetate
SMILESCOC(=O)CC1=CCCCC1C
InChIInChI=1S/C10H16O2/c1-8-5-3-4-6-9(8)7-10(11)12-2/h6,8H,3-5,7H2,1-2H3
InChIKeySKEIQLZBUZDTLI-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds2

About methyl 2-(6-methylcyclohexen-1-yl)acetate

methyl 2-(6-methylcyclohexen-1-yl)acetate (PubChem CID 13301905) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 2-(6-methylcyclohexen-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methylcyclohexen-1-yl)acetate
PubChem CID13301905
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 2-(6-methylcyclohexen-1-yl)acetate
SMILESCOC(=O)CC1=CCCCC1C
InChIInChI=1S/C10H16O2/c1-8-5-3-4-6-9(8)7-10(11)12-2/h6,8H,3-5,7H2,1-2H3
InChIKeySKEIQLZBUZDTLI-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl rhodinolate
CID 61290
4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
Citronellyl dodecanoate
CID 21263168
Citronellyl decanoate
CID 57353225
Ethylhexyl Oleate
CID 6438028
Butyloctyl Oleate
CID 71587487
Ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate
CID 93847
3-Cyclohexene-1-carboxylic acid, 1,4-dimethyl-, methyl ester
CID 100881
3-(4-Methylcyclohex-3-enyl)but-3-enyl acetate
CID 110929
2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
CID 119800
Ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate
CID 166500
Oxacyclopentadec-10-en-2-one, 13-methyl-
CID 56842685

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methylcyclohexen-1-yl)acetate?
The IUPAC name of methyl 2-(6-methylcyclohexen-1-yl)acetate (CID 13301905) is methyl 2-(6-methylcyclohexen-1-yl)acetate.
What is the SMILES notation for methyl 2-(6-methylcyclohexen-1-yl)acetate?
The canonical SMILES for methyl 2-(6-methylcyclohexen-1-yl)acetate is COC(=O)CC1=CCCCC1C.
What is the InChIKey of methyl 2-(6-methylcyclohexen-1-yl)acetate?
The InChIKey is SKEIQLZBUZDTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-5-3-4-6-9(8)7-10(11)12-2/h6,8H,3-5,7H2,1-2H3.
What are the key properties of methyl 2-(6-methylcyclohexen-1-yl)acetate?
methyl 2-(6-methylcyclohexen-1-yl)acetate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methylcyclohexen-1-yl)acetate is sourced from PubChem (CID 13301905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).