1-(1-butoxyethenyl)-2-methylidenecyclohexane

C13H22O — CID 67991720

IUPAC1-(1-butoxyethenyl)-2-methylidenecyclohexane
SMILESC=C1CCCCC1C(=C)OCCCC
InChIInChI=1S/C13H22O/c1-4-5-10-14-12(3)13-9-7-6-8-11(13)2/h13H,2-10H2,1H3
InChIKeyOEPJNLCCFGNVPA-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.06
Rot. Bonds5

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

1-(1-butoxyethenyl)-2-methylidenecyclohexane (PubChem CID 67991720) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(1-butoxyethenyl)-2-methylidenecyclohexane.

Molecular Properties

Compound Name1-(1-butoxyethenyl)-2-methylidenecyclohexane
PubChem CID67991720
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-(1-butoxyethenyl)-2-methylidenecyclohexane
SMILESC=C1CCCCC1C(=C)OCCCC
InChIInChI=1S/C13H22O/c1-4-5-10-14-12(3)13-9-7-6-8-11(13)2/h13H,2-10H2,1H3
InChIKeyOEPJNLCCFGNVPA-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.06
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)-2-methylidenecyclohexane?
The IUPAC name of 1-(1-butoxyethenyl)-2-methylidenecyclohexane (CID 67991720) is 1-(1-butoxyethenyl)-2-methylidenecyclohexane.
What is the SMILES notation for 1-(1-butoxyethenyl)-2-methylidenecyclohexane?
The canonical SMILES for 1-(1-butoxyethenyl)-2-methylidenecyclohexane is C=C1CCCCC1C(=C)OCCCC.
What is the InChIKey of 1-(1-butoxyethenyl)-2-methylidenecyclohexane?
The InChIKey is OEPJNLCCFGNVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-4-5-10-14-12(3)13-9-7-6-8-11(13)2/h13H,2-10H2,1H3.
What are the key properties of 1-(1-butoxyethenyl)-2-methylidenecyclohexane?
1-(1-butoxyethenyl)-2-methylidenecyclohexane has a molecular weight of 194.32 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxyethenyl)-2-methylidenecyclohexane is sourced from PubChem (CID 67991720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).