1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane

C14H24O — CID 67991721

IUPAC1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane
SMILESC=C1CCCCC1(C)C(=C)OCCCC
InChIInChI=1S/C14H24O/c1-5-6-11-15-13(3)14(4)10-8-7-9-12(14)2/h2-3,5-11H2,1,4H3
InChIKeyDUDDVTXNGAXATE-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.45
Rot. Bonds5

About 1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane

1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane (PubChem CID 67991721) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane.

Molecular Properties

Compound Name1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane
PubChem CID67991721
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane
SMILESC=C1CCCCC1(C)C(=C)OCCCC
InChIInChI=1S/C14H24O/c1-5-6-11-15-13(3)14(4)10-8-7-9-12(14)2/h2-3,5-11H2,1,4H3
InChIKeyDUDDVTXNGAXATE-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane?
The IUPAC name of 1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane (CID 67991721) is 1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane.
What is the SMILES notation for 1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane?
The canonical SMILES for 1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane is C=C1CCCCC1(C)C(=C)OCCCC.
What is the InChIKey of 1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane?
The InChIKey is DUDDVTXNGAXATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-5-6-11-15-13(3)14(4)10-8-7-9-12(14)2/h2-3,5-11H2,1,4H3.
What are the key properties of 1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane?
1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane has a molecular weight of 208.34 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxyethenyl)-1-methyl-2-methylidenecyclohexane is sourced from PubChem (CID 67991721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).