4,4-bis(prop-2-enoxymethyl)cyclohexene

C14H22O2 — CID 139896288

IUPAC4,4-bis(prop-2-enoxymethyl)cyclohexene
SMILESC=CCOCC1(COCC=C)CC=CCC1
InChIInChI=1S/C14H22O2/c1-3-10-15-12-14(13-16-11-4-2)8-6-5-7-9-14/h3-6H,1-2,7-13H2
InChIKeyNTLGLPFDVLNBRU-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.12
Rot. Bonds8

About 4,4-bis(prop-2-enoxymethyl)cyclohexene

4,4-bis(prop-2-enoxymethyl)cyclohexene (PubChem CID 139896288) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4,4-bis(prop-2-enoxymethyl)cyclohexene.

Molecular Properties

Compound Name4,4-bis(prop-2-enoxymethyl)cyclohexene
PubChem CID139896288
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4,4-bis(prop-2-enoxymethyl)cyclohexene
SMILESC=CCOCC1(COCC=C)CC=CCC1
InChIInChI=1S/C14H22O2/c1-3-10-15-12-14(13-16-11-4-2)8-6-5-7-9-14/h3-6H,1-2,7-13H2
InChIKeyNTLGLPFDVLNBRU-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.12
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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Related Compounds

1-Methoxy-6,6-dimethyl-cyclohex-2-ene
CID 558570
4,4-Bis(vinyloxymethyl)cyclohexene
CID 89106982
(2-Oxapent-4-enyl)cyclohex-3-ene
CID 21996721
4-(2-Methylprop-2-enoxymethyl)cyclohexene
CID 132214704
4-(But-2-enoxymethyl)cyclohexene
CID 141672466
2,9-Dioxaspiro[6.6]trideca-4,11-diene
CID 86214882
(2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene
CID 101200823
4-Methyl-5-(prop-2-enoxymethyl)cyclohexene
CID 21996717
3-(Cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane
CID 23118639
4,4-Bis(methoxymethyl)cyclohexene
CID 58930746
4-(Ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene
CID 66930282
4,4-Bis(cyclohex-2-en-1-yloxymethyl)cyclohexene
CID 85792223

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(prop-2-enoxymethyl)cyclohexene?
The IUPAC name of 4,4-bis(prop-2-enoxymethyl)cyclohexene (CID 139896288) is 4,4-bis(prop-2-enoxymethyl)cyclohexene.
What is the SMILES notation for 4,4-bis(prop-2-enoxymethyl)cyclohexene?
The canonical SMILES for 4,4-bis(prop-2-enoxymethyl)cyclohexene is C=CCOCC1(COCC=C)CC=CCC1.
What is the InChIKey of 4,4-bis(prop-2-enoxymethyl)cyclohexene?
The InChIKey is NTLGLPFDVLNBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-10-15-12-14(13-16-11-4-2)8-6-5-7-9-14/h3-6H,1-2,7-13H2.
What are the key properties of 4,4-bis(prop-2-enoxymethyl)cyclohexene?
4,4-bis(prop-2-enoxymethyl)cyclohexene has a molecular weight of 222.33 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(prop-2-enoxymethyl)cyclohexene is sourced from PubChem (CID 139896288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).