(3-hex-1-enylcyclohexyl) acetate

C14H24O2 — CID 57290529

IUPAC(3-hex-1-enylcyclohexyl) acetate
SMILESCCCCC=CC1CCCC(OC(C)=O)C1
InChIInChI=1S/C14H24O2/c1-3-4-5-6-8-13-9-7-10-14(11-13)16-12(2)15/h6,8,13-14H,3-5,7,9-11H2,1-2H3
InChIKeyLSFAQYFSIPFZIS-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds5

About (3-hex-1-enylcyclohexyl) acetate

(3-hex-1-enylcyclohexyl) acetate (PubChem CID 57290529) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (3-hex-1-enylcyclohexyl) acetate.

Molecular Properties

Compound Name(3-hex-1-enylcyclohexyl) acetate
PubChem CID57290529
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(3-hex-1-enylcyclohexyl) acetate
SMILESCCCCC=CC1CCCC(OC(C)=O)C1
InChIInChI=1S/C14H24O2/c1-3-4-5-6-8-13-9-7-10-14(11-13)16-12(2)15/h6,8,13-14H,3-5,7,9-11H2,1-2H3
InChIKeyLSFAQYFSIPFZIS-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-hex-1-enylcyclohexyl) acetate?
The IUPAC name of (3-hex-1-enylcyclohexyl) acetate (CID 57290529) is (3-hex-1-enylcyclohexyl) acetate.
What is the SMILES notation for (3-hex-1-enylcyclohexyl) acetate?
The canonical SMILES for (3-hex-1-enylcyclohexyl) acetate is CCCCC=CC1CCCC(OC(C)=O)C1.
What is the InChIKey of (3-hex-1-enylcyclohexyl) acetate?
The InChIKey is LSFAQYFSIPFZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-4-5-6-8-13-9-7-10-14(11-13)16-12(2)15/h6,8,13-14H,3-5,7,9-11H2,1-2H3.
What are the key properties of (3-hex-1-enylcyclohexyl) acetate?
(3-hex-1-enylcyclohexyl) acetate has a molecular weight of 224.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hex-1-enylcyclohexyl) acetate is sourced from PubChem (CID 57290529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).