4-(2-butoxypropan-2-yl)-1-methylcyclohexene

C14H26O — CID 71357661

IUPAC4-(2-butoxypropan-2-yl)-1-methylcyclohexene
SMILESCCCCOC(C)(C)C1CC=C(C)CC1
InChIInChI=1S/C14H26O/c1-5-6-11-15-14(3,4)13-9-7-12(2)8-10-13/h7,13H,5-6,8-11H2,1-4H3
InChIKeyNWGCWBHDAQSDMG-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.33
Rot. Bonds5

About 4-(2-butoxypropan-2-yl)-1-methylcyclohexene

4-(2-butoxypropan-2-yl)-1-methylcyclohexene (PubChem CID 71357661) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-(2-butoxypropan-2-yl)-1-methylcyclohexene.

Molecular Properties

Compound Name4-(2-butoxypropan-2-yl)-1-methylcyclohexene
PubChem CID71357661
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name4-(2-butoxypropan-2-yl)-1-methylcyclohexene
SMILESCCCCOC(C)(C)C1CC=C(C)CC1
InChIInChI=1S/C14H26O/c1-5-6-11-15-14(3,4)13-9-7-12(2)8-10-13/h7,13H,5-6,8-11H2,1-4H3
InChIKeyNWGCWBHDAQSDMG-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.33
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxypropan-2-yl)-1-methylcyclohexene?
The IUPAC name of 4-(2-butoxypropan-2-yl)-1-methylcyclohexene (CID 71357661) is 4-(2-butoxypropan-2-yl)-1-methylcyclohexene.
What is the SMILES notation for 4-(2-butoxypropan-2-yl)-1-methylcyclohexene?
The canonical SMILES for 4-(2-butoxypropan-2-yl)-1-methylcyclohexene is CCCCOC(C)(C)C1CC=C(C)CC1.
What is the InChIKey of 4-(2-butoxypropan-2-yl)-1-methylcyclohexene?
The InChIKey is NWGCWBHDAQSDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-5-6-11-15-14(3,4)13-9-7-12(2)8-10-13/h7,13H,5-6,8-11H2,1-4H3.
What are the key properties of 4-(2-butoxypropan-2-yl)-1-methylcyclohexene?
4-(2-butoxypropan-2-yl)-1-methylcyclohexene has a molecular weight of 210.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxypropan-2-yl)-1-methylcyclohexene is sourced from PubChem (CID 71357661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).