(2-hex-3-enoyloxycyclohexyl) hex-3-enoate

C18H28O4 — CID 69187099

IUPAC(2-hex-3-enoyloxycyclohexyl) hex-3-enoate
SMILESCCC=CCC(=O)OC1CCCCC1OC(=O)CC=CCC
InChIInChI=1S/C18H28O4/c1-3-5-7-13-17(19)21-15-11-9-10-12-16(15)22-18(20)14-8-6-4-2/h5-8,15-16H,3-4,9-14H2,1-2H3
InChIKeyCKKRVVZAJLGHRI-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.10
Rot. Bonds8

About (2-hex-3-enoyloxycyclohexyl) hex-3-enoate

(2-hex-3-enoyloxycyclohexyl) hex-3-enoate (PubChem CID 69187099) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is (2-hex-3-enoyloxycyclohexyl) hex-3-enoate.

Molecular Properties

Compound Name(2-hex-3-enoyloxycyclohexyl) hex-3-enoate
PubChem CID69187099
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name(2-hex-3-enoyloxycyclohexyl) hex-3-enoate
SMILESCCC=CCC(=O)OC1CCCCC1OC(=O)CC=CCC
InChIInChI=1S/C18H28O4/c1-3-5-7-13-17(19)21-15-11-9-10-12-16(15)22-18(20)14-8-6-4-2/h5-8,15-16H,3-4,9-14H2,1-2H3
InChIKeyCKKRVVZAJLGHRI-UHFFFAOYSA-N
XLogP4.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hex-3-enoyloxycyclohexyl) hex-3-enoate?
The IUPAC name of (2-hex-3-enoyloxycyclohexyl) hex-3-enoate (CID 69187099) is (2-hex-3-enoyloxycyclohexyl) hex-3-enoate.
What is the SMILES notation for (2-hex-3-enoyloxycyclohexyl) hex-3-enoate?
The canonical SMILES for (2-hex-3-enoyloxycyclohexyl) hex-3-enoate is CCC=CCC(=O)OC1CCCCC1OC(=O)CC=CCC.
What is the InChIKey of (2-hex-3-enoyloxycyclohexyl) hex-3-enoate?
The InChIKey is CKKRVVZAJLGHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-3-5-7-13-17(19)21-15-11-9-10-12-16(15)22-18(20)14-8-6-4-2/h5-8,15-16H,3-4,9-14H2,1-2H3.
What are the key properties of (2-hex-3-enoyloxycyclohexyl) hex-3-enoate?
(2-hex-3-enoyloxycyclohexyl) hex-3-enoate has a molecular weight of 308.42 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hex-3-enoyloxycyclohexyl) hex-3-enoate is sourced from PubChem (CID 69187099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).