1,4-bis(prop-2-enoxymethyl)cyclohexane

C14H24O2 — CID 18401299

IUPAC1,4-bis(prop-2-enoxymethyl)cyclohexane
SMILESC=CCOCC1CCC(COCC=C)CC1
InChIInChI=1S/C14H24O2/c1-3-9-15-11-13-5-7-14(8-6-13)12-16-10-4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyXVDVZDBFCWQINP-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.20
Rot. Bonds8

About 1,4-bis(prop-2-enoxymethyl)cyclohexane

1,4-bis(prop-2-enoxymethyl)cyclohexane (PubChem CID 18401299) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1,4-bis(prop-2-enoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,4-bis(prop-2-enoxymethyl)cyclohexane
PubChem CID18401299
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1,4-bis(prop-2-enoxymethyl)cyclohexane
SMILESC=CCOCC1CCC(COCC=C)CC1
InChIInChI=1S/C14H24O2/c1-3-9-15-11-13-5-7-14(8-6-13)12-16-10-4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyXVDVZDBFCWQINP-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.20
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 1,4-bis(prop-2-enoxymethyl)cyclohexane?
The IUPAC name of 1,4-bis(prop-2-enoxymethyl)cyclohexane (CID 18401299) is 1,4-bis(prop-2-enoxymethyl)cyclohexane.
What is the SMILES notation for 1,4-bis(prop-2-enoxymethyl)cyclohexane?
The canonical SMILES for 1,4-bis(prop-2-enoxymethyl)cyclohexane is C=CCOCC1CCC(COCC=C)CC1.
What is the InChIKey of 1,4-bis(prop-2-enoxymethyl)cyclohexane?
The InChIKey is XVDVZDBFCWQINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-9-15-11-13-5-7-14(8-6-13)12-16-10-4-2/h3-4,13-14H,1-2,5-12H2.
What are the key properties of 1,4-bis(prop-2-enoxymethyl)cyclohexane?
1,4-bis(prop-2-enoxymethyl)cyclohexane has a molecular weight of 224.34 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(prop-2-enoxymethyl)cyclohexane is sourced from PubChem (CID 18401299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).