(5-methylcyclohexen-1-yl) acetate

C9H14O2 — CID 12575378

IUPAC(5-methylcyclohexen-1-yl) acetate
SMILESCC(=O)OC1=CCCC(C)C1
InChIInChI=1S/C9H14O2/c1-7-4-3-5-9(6-7)11-8(2)10/h5,7H,3-4,6H2,1-2H3
InChIKeyHDJLXDIQDJILJK-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.25
Rot. Bonds1

About (5-methylcyclohexen-1-yl) acetate

(5-methylcyclohexen-1-yl) acetate (PubChem CID 12575378) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (5-methylcyclohexen-1-yl) acetate.

Molecular Properties

Compound Name(5-methylcyclohexen-1-yl) acetate
PubChem CID12575378
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(5-methylcyclohexen-1-yl) acetate
SMILESCC(=O)OC1=CCCC(C)C1
InChIInChI=1S/C9H14O2/c1-7-4-3-5-9(6-7)11-8(2)10/h5,7H,3-4,6H2,1-2H3
InChIKeyHDJLXDIQDJILJK-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 74019
CID 74019
CID 289874
CID 289874
CID 19418268
CID 19418268
CID 101413597
CID 101413597
CID 23264546
CID 23264546
CID 526662
CID 526662
CID 3028407
CID 3028407
CID 539840
CID 539840
CID 12575379
CID 12575379
CID 12923751
CID 12923751
CID 13736115
CID 13736115
CID 15416685
CID 15416685

Frequently Asked Questions

What is the IUPAC name of (5-methylcyclohexen-1-yl) acetate?
The IUPAC name of (5-methylcyclohexen-1-yl) acetate (CID 12575378) is (5-methylcyclohexen-1-yl) acetate.
What is the SMILES notation for (5-methylcyclohexen-1-yl) acetate?
The canonical SMILES for (5-methylcyclohexen-1-yl) acetate is CC(=O)OC1=CCCC(C)C1.
What is the InChIKey of (5-methylcyclohexen-1-yl) acetate?
The InChIKey is HDJLXDIQDJILJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-4-3-5-9(6-7)11-8(2)10/h5,7H,3-4,6H2,1-2H3.
What are the key properties of (5-methylcyclohexen-1-yl) acetate?
(5-methylcyclohexen-1-yl) acetate has a molecular weight of 154.21 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylcyclohexen-1-yl) acetate is sourced from PubChem (CID 12575378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).