1-prop-1-en-2-yloxyadamantane

C13H20O — CID 174742193

IUPAC1-prop-1-en-2-yloxyadamantane
SMILESC=C(C)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20O/c1-9(2)14-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12H,1,3-8H2,2H3
InChIKeyFUNKDEQFNHSSKD-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.51
Rot. Bonds2

About 1-prop-1-en-2-yloxyadamantane

1-prop-1-en-2-yloxyadamantane (PubChem CID 174742193) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-prop-1-en-2-yloxyadamantane.

Molecular Properties

Compound Name1-prop-1-en-2-yloxyadamantane
PubChem CID174742193
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-prop-1-en-2-yloxyadamantane
SMILESC=C(C)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20O/c1-9(2)14-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12H,1,3-8H2,2H3
InChIKeyFUNKDEQFNHSSKD-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yloxyadamantane?
The IUPAC name of 1-prop-1-en-2-yloxyadamantane (CID 174742193) is 1-prop-1-en-2-yloxyadamantane.
What is the SMILES notation for 1-prop-1-en-2-yloxyadamantane?
The canonical SMILES for 1-prop-1-en-2-yloxyadamantane is C=C(C)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-prop-1-en-2-yloxyadamantane?
The InChIKey is FUNKDEQFNHSSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9(2)14-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12H,1,3-8H2,2H3.
What are the key properties of 1-prop-1-en-2-yloxyadamantane?
1-prop-1-en-2-yloxyadamantane has a molecular weight of 192.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yloxyadamantane is sourced from PubChem (CID 174742193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).