1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane

C15H28O — CID 101411637

IUPAC1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane
SMILESC=C1CCCCC1CCCCOC(C)(C)C
InChIInChI=1S/C15H28O/c1-13-9-5-6-10-14(13)11-7-8-12-16-15(2,3)4/h14H,1,5-12H2,2-4H3
InChIKeyKCINJUYPLXKMEI-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.72
Rot. Bonds5

About 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane

1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane (PubChem CID 101411637) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane.

Molecular Properties

Compound Name1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane
PubChem CID101411637
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane
SMILESC=C1CCCCC1CCCCOC(C)(C)C
InChIInChI=1S/C15H28O/c1-13-9-5-6-10-14(13)11-7-8-12-16-15(2,3)4/h14H,1,5-12H2,2-4H3
InChIKeyKCINJUYPLXKMEI-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Cyclohexane, 1-methoxy-1-methyl-4-(1-methylethenyl)-
CID 117339
1-Oxaspiro[5.5]undecane, 4-methylene-
CID 10899059
Herbal undecanol
CID 14437951
[2-Methyl-1-(2-methylprop-2-enoxy)prop-2-enyl]cyclohexane
CID 20816777
1-Fluoro-2-methyl-4-methylidene-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane
CID 131997517
1-(2-Methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 143587510
Cyclohexane, 1-(ethoxymethyl)-4-methylene-
CID 564665
1-Methoxy-1-methyl-4-methylidenecyclohexane
CID 10534753
4-Methyl-2-(2-methylprop-2-enyl)oxane
CID 13894254
2,2-Dimethyl-5-(prop-1-en-2-yl)oxane
CID 71429158
(2S,4S,6R)-2,4-Dimethyl-8-methylene-1-oxaspiro[5.5]undecane
CID 10512034
(3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane
CID 15011476

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane?
The IUPAC name of 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane (CID 101411637) is 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane.
What is the SMILES notation for 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane?
The canonical SMILES for 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane is C=C1CCCCC1CCCCOC(C)(C)C.
What is the InChIKey of 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane?
The InChIKey is KCINJUYPLXKMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-13-9-5-6-10-14(13)11-7-8-12-16-15(2,3)4/h14H,1,5-12H2,2-4H3.
What are the key properties of 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane?
1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane has a molecular weight of 224.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane is sourced from PubChem (CID 101411637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).