propyl 2-(1-methylcyclohexyl)acetate

C12H22O2 — CID 141475646

IUPACpropyl 2-(1-methylcyclohexyl)acetate
SMILESCCCOC(=O)CC1(C)CCCCC1
InChIInChI=1S/C12H22O2/c1-3-9-14-11(13)10-12(2)7-5-4-6-8-12/h3-10H2,1-2H3
InChIKeyXGYGWUXKAFHWIF-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.30
Rot. Bonds4

About propyl 2-(1-methylcyclohexyl)acetate

propyl 2-(1-methylcyclohexyl)acetate (PubChem CID 141475646) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is propyl 2-(1-methylcyclohexyl)acetate.

Molecular Properties

Compound Namepropyl 2-(1-methylcyclohexyl)acetate
PubChem CID141475646
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namepropyl 2-(1-methylcyclohexyl)acetate
SMILESCCCOC(=O)CC1(C)CCCCC1
InChIInChI=1S/C12H22O2/c1-3-9-14-11(13)10-12(2)7-5-4-6-8-12/h3-10H2,1-2H3
InChIKeyXGYGWUXKAFHWIF-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl cyclohexanoate
CID 18686
Ethyl cyclohexane propionate
CID 61466
Ethyl cyclohexylacetate
CID 21595
Hexyldecyl Laurate
CID 118154
Ethyl 2-cyclohexylpropionate
CID 160641
2-Propylheptyl octanoate
CID 11855339
2-Ethylhexyl isohexadecanoate
CID 53749398
Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-
CID 11735763
Methyl 3-methylcyclohexanecarboxylate
CID 21259590
2H-Pyran-2-one, tetrahydro-5-pentyl-
CID 59609863
12-Methyl-13-tridecanolide
CID 534607
Ethyl 1-adamantanecarboxylate
CID 123141

Frequently Asked Questions

What is the IUPAC name of propyl 2-(1-methylcyclohexyl)acetate?
The IUPAC name of propyl 2-(1-methylcyclohexyl)acetate (CID 141475646) is propyl 2-(1-methylcyclohexyl)acetate.
What is the SMILES notation for propyl 2-(1-methylcyclohexyl)acetate?
The canonical SMILES for propyl 2-(1-methylcyclohexyl)acetate is CCCOC(=O)CC1(C)CCCCC1.
What is the InChIKey of propyl 2-(1-methylcyclohexyl)acetate?
The InChIKey is XGYGWUXKAFHWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-9-14-11(13)10-12(2)7-5-4-6-8-12/h3-10H2,1-2H3.
What are the key properties of propyl 2-(1-methylcyclohexyl)acetate?
propyl 2-(1-methylcyclohexyl)acetate has a molecular weight of 198.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(1-methylcyclohexyl)acetate is sourced from PubChem (CID 141475646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).