(1-cyclohexyl-3-methylpent-1-enyl) acetate

C14H24O2 — CID 69272234

IUPAC(1-cyclohexyl-3-methylpent-1-enyl) acetate
SMILESCCC(C)C=C(OC(C)=O)C1CCCCC1
InChIInChI=1S/C14H24O2/c1-4-11(2)10-14(16-12(3)15)13-8-6-5-7-9-13/h10-11,13H,4-9H2,1-3H3
InChIKeyYSJGFXBWOGGNBG-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.06
Rot. Bonds4

About (1-cyclohexyl-3-methylpent-1-enyl) acetate

(1-cyclohexyl-3-methylpent-1-enyl) acetate (PubChem CID 69272234) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1-cyclohexyl-3-methylpent-1-enyl) acetate.

Molecular Properties

Compound Name(1-cyclohexyl-3-methylpent-1-enyl) acetate
PubChem CID69272234
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1-cyclohexyl-3-methylpent-1-enyl) acetate
SMILESCCC(C)C=C(OC(C)=O)C1CCCCC1
InChIInChI=1S/C14H24O2/c1-4-11(2)10-14(16-12(3)15)13-8-6-5-7-9-13/h10-11,13H,4-9H2,1-3H3
InChIKeyYSJGFXBWOGGNBG-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-3-methylpent-1-enyl) acetate?
The IUPAC name of (1-cyclohexyl-3-methylpent-1-enyl) acetate (CID 69272234) is (1-cyclohexyl-3-methylpent-1-enyl) acetate.
What is the SMILES notation for (1-cyclohexyl-3-methylpent-1-enyl) acetate?
The canonical SMILES for (1-cyclohexyl-3-methylpent-1-enyl) acetate is CCC(C)C=C(OC(C)=O)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-3-methylpent-1-enyl) acetate?
The InChIKey is YSJGFXBWOGGNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-11(2)10-14(16-12(3)15)13-8-6-5-7-9-13/h10-11,13H,4-9H2,1-3H3.
What are the key properties of (1-cyclohexyl-3-methylpent-1-enyl) acetate?
(1-cyclohexyl-3-methylpent-1-enyl) acetate has a molecular weight of 224.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-3-methylpent-1-enyl) acetate is sourced from PubChem (CID 69272234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).