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

C15H26O2 — CID 139896276

IUPAC2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane
SMILESC=CCOCC1(COCC=C)CCCCC1C
InChIInChI=1S/C15H26O2/c1-4-10-16-12-15(13-17-11-5-2)9-7-6-8-14(15)3/h4-5,14H,1-2,6-13H2,3H3
InChIKeyTWFSVBURZQNXJF-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.59
Rot. Bonds8

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

2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane (PubChem CID 139896276) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane.

Molecular Properties

Compound Name2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane
PubChem CID139896276
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane
SMILESC=CCOCC1(COCC=C)CCCCC1C
InChIInChI=1S/C15H26O2/c1-4-10-16-12-15(13-17-11-5-2)9-7-6-8-14(15)3/h4-5,14H,1-2,6-13H2,3H3
InChIKeyTWFSVBURZQNXJF-UHFFFAOYSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.59
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 2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane?
The IUPAC name of 2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane (CID 139896276) is 2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane.
What is the SMILES notation for 2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane?
The canonical SMILES for 2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane is C=CCOCC1(COCC=C)CCCCC1C.
What is the InChIKey of 2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane?
The InChIKey is TWFSVBURZQNXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-10-16-12-15(13-17-11-5-2)9-7-6-8-14(15)3/h4-5,14H,1-2,6-13H2,3H3.
What are the key properties of 2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane?
2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane has a molecular weight of 238.37 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane is sourced from PubChem (CID 139896276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).