1-butoxy-3,3,5,5-tetramethylcyclohexene

C14H26O — CID 173161337

IUPAC1-butoxy-3,3,5,5-tetramethylcyclohexene
SMILESCCCCOC1=CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H26O/c1-6-7-8-15-12-9-13(2,3)11-14(4,5)10-12/h9H,6-8,10-11H2,1-5H3
InChIKeyQZXNVCXUUKVPFM-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.53
Rot. Bonds4

About 1-butoxy-3,3,5,5-tetramethylcyclohexene

1-butoxy-3,3,5,5-tetramethylcyclohexene (PubChem CID 173161337) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-butoxy-3,3,5,5-tetramethylcyclohexene.

Molecular Properties

Compound Name1-butoxy-3,3,5,5-tetramethylcyclohexene
PubChem CID173161337
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-butoxy-3,3,5,5-tetramethylcyclohexene
SMILESCCCCOC1=CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H26O/c1-6-7-8-15-12-9-13(2,3)11-14(4,5)10-12/h9H,6-8,10-11H2,1-5H3
InChIKeyQZXNVCXUUKVPFM-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3,3,5,5-tetramethylcyclohexene?
The IUPAC name of 1-butoxy-3,3,5,5-tetramethylcyclohexene (CID 173161337) is 1-butoxy-3,3,5,5-tetramethylcyclohexene.
What is the SMILES notation for 1-butoxy-3,3,5,5-tetramethylcyclohexene?
The canonical SMILES for 1-butoxy-3,3,5,5-tetramethylcyclohexene is CCCCOC1=CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-butoxy-3,3,5,5-tetramethylcyclohexene?
The InChIKey is QZXNVCXUUKVPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-6-7-8-15-12-9-13(2,3)11-14(4,5)10-12/h9H,6-8,10-11H2,1-5H3.
What are the key properties of 1-butoxy-3,3,5,5-tetramethylcyclohexene?
1-butoxy-3,3,5,5-tetramethylcyclohexene has a molecular weight of 210.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3,3,5,5-tetramethylcyclohexene is sourced from PubChem (CID 173161337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).