[1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate

C14H24O2 — CID 118541075

IUPAC[1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate
SMILESCCC(C)/C=C/C1(OC(C)=O)CCCCC1
InChIInChI=1S/C14H24O2/c1-4-12(2)8-11-14(16-13(3)15)9-6-5-7-10-14/h8,11-12H,4-7,9-10H2,1-3H3/b11-8+
InChIKeyHIAJTMWCKKQIMV-DHZHZOJOSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds4

About [1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate

[1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate (PubChem CID 118541075) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate.

Molecular Properties

Compound Name[1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate
PubChem CID118541075
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate
SMILESCCC(C)/C=C/C1(OC(C)=O)CCCCC1
InChIInChI=1S/C14H24O2/c1-4-12(2)8-11-14(16-13(3)15)9-6-5-7-10-14/h8,11-12H,4-7,9-10H2,1-3H3/b11-8+
InChIKeyHIAJTMWCKKQIMV-DHZHZOJOSA-N
XLogP3.85
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 ≤ 53.85
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

(1-propa-1,2-dienylcyclooctyl) acetate
CID 102074040
[1-[(E)-pent-1-enyl]cyclohexyl] 2-methylbutanoate
CID 172546319
(1-hydroxycyclooctyl) acetate
CID 91039609
(1-methylcyclohexyl) acetate;propane
CID 143035856
[(E)-1-acetyloxy-3-(1-methoxycyclopentyl)prop-2-enyl] acetate
CID 101109027
(1-propan-2-ylcyclopentyl) acetate
CID 58143154
(1-formylcyclopropyl) acetate
CID 155705215
(1-ethylcyclohexyl) 2-iodobutanoate
CID 130346146
ethyl 2-(1-hydroxycyclononyl)propanoate
CID 15353413
(1-ethenylcyclohexyl) propanoate
CID 21115640
(1-cyclohexyl-3-methylpent-1-enyl) acetate
CID 69272234
(1-pentan-3-ylcyclopentyl) 2-methylbutanoate
CID 121368391

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate?
The IUPAC name of [1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate (CID 118541075) is [1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate.
What is the SMILES notation for [1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate?
The canonical SMILES for [1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate is CCC(C)/C=C/C1(OC(C)=O)CCCCC1.
What is the InChIKey of [1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate?
The InChIKey is HIAJTMWCKKQIMV-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-12(2)8-11-14(16-13(3)15)9-6-5-7-10-14/h8,11-12H,4-7,9-10H2,1-3H3/b11-8+.
What are the key properties of [1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate?
[1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate has a molecular weight of 224.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate is sourced from PubChem (CID 118541075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).