4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene

C16H30O2 — CID 71420705

IUPAC4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene
SMILESCC(C)(C)OCC1(COC(C)(C)C)CC=CCC1
InChIInChI=1S/C16H30O2/c1-14(2,3)17-12-16(10-8-7-9-11-16)13-18-15(4,5)6/h7-8H,9-13H2,1-6H3
InChIKeyHRKWXKAHPAHLES-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.34
Rot. Bonds4

About 4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene

4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene (PubChem CID 71420705) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene.

Molecular Properties

Compound Name4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene
PubChem CID71420705
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene
SMILESCC(C)(C)OCC1(COC(C)(C)C)CC=CCC1
InChIInChI=1S/C16H30O2/c1-14(2,3)17-12-16(10-8-7-9-11-16)13-18-15(4,5)6/h7-8H,9-13H2,1-6H3
InChIKeyHRKWXKAHPAHLES-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-Bis(vinyloxymethyl)cyclohexene
CID 89106982
3,3-Dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-8-ene
CID 18766957
3-(Cyclohex-3-en-1-ylmethoxymethyl)-3-ethyloxetane
CID 23118639
(E)-2,8,8-trimethyl-9-[(2-methylpropan-2-yl)oxy]non-3-ene
CID 57873887
(E)-2,7,7-trimethyl-8-[(2-methylpropan-2-yl)oxy]oct-3-ene
CID 57873891
4,4-Bis(methoxymethyl)cyclohexene
CID 58930746
4-(2,4-dimethylpyran-4-yl)-2,2,4,6-tetramethyl-3H-pyran
CID 66618224
1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 70929215
1-[(E)-4,4-dimethylpent-2-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
CID 70929227
1-[(E)-5,5-dimethylhex-3-enyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
CID 70929234
1-(5,5-Dimethylhex-3-enyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 77956641
1-(4,4-Dimethylpent-2-enyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
CID 77956652

Frequently Asked Questions

What is the IUPAC name of 4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene?
The IUPAC name of 4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene (CID 71420705) is 4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene.
What is the SMILES notation for 4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene?
The canonical SMILES for 4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene is CC(C)(C)OCC1(COC(C)(C)C)CC=CCC1.
What is the InChIKey of 4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene?
The InChIKey is HRKWXKAHPAHLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-14(2,3)17-12-16(10-8-7-9-11-16)13-18-15(4,5)6/h7-8H,9-13H2,1-6H3.
What are the key properties of 4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene?
4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene has a molecular weight of 254.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis[(2-methylpropan-2-yl)oxymethyl]cyclohexene is sourced from PubChem (CID 71420705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).