2-ethenyl-4-methoxy-2-methyladamantane

C14H22O — CID 134200133

IUPAC2-ethenyl-4-methoxy-2-methyladamantane
SMILESC=CC1(C)C2CC3CC(C2)C(OC)C1C3
InChIInChI=1S/C14H22O/c1-4-14(2)11-6-9-5-10(8-11)13(15-3)12(14)7-9/h4,9-13H,1,5-8H2,2-3H3
InChIKeyFQRZBIIUUVKLGX-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.26
Rot. Bonds2

About 2-ethenyl-4-methoxy-2-methyladamantane

2-ethenyl-4-methoxy-2-methyladamantane (PubChem CID 134200133) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-ethenyl-4-methoxy-2-methyladamantane.

Molecular Properties

Compound Name2-ethenyl-4-methoxy-2-methyladamantane
PubChem CID134200133
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-ethenyl-4-methoxy-2-methyladamantane
SMILESC=CC1(C)C2CC3CC(C2)C(OC)C1C3
InChIInChI=1S/C14H22O/c1-4-14(2)11-6-9-5-10(8-11)13(15-3)12(14)7-9/h4,9-13H,1,5-8H2,2-3H3
InChIKeyFQRZBIIUUVKLGX-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methoxy-2-methyladamantane?
The IUPAC name of 2-ethenyl-4-methoxy-2-methyladamantane (CID 134200133) is 2-ethenyl-4-methoxy-2-methyladamantane.
What is the SMILES notation for 2-ethenyl-4-methoxy-2-methyladamantane?
The canonical SMILES for 2-ethenyl-4-methoxy-2-methyladamantane is C=CC1(C)C2CC3CC(C2)C(OC)C1C3.
What is the InChIKey of 2-ethenyl-4-methoxy-2-methyladamantane?
The InChIKey is FQRZBIIUUVKLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-14(2)11-6-9-5-10(8-11)13(15-3)12(14)7-9/h4,9-13H,1,5-8H2,2-3H3.
What are the key properties of 2-ethenyl-4-methoxy-2-methyladamantane?
2-ethenyl-4-methoxy-2-methyladamantane has a molecular weight of 206.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methoxy-2-methyladamantane is sourced from PubChem (CID 134200133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).