1-prop-2-enoxyadamantane

C13H20O — CID 11769368

IUPAC1-prop-2-enoxyadamantane
SMILESC=CCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20O/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12H,1,3-9H2
InChIKeyJKIPXZABCHFCTD-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.16
Rot. Bonds3

About 1-prop-2-enoxyadamantane

1-prop-2-enoxyadamantane (PubChem CID 11769368) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-prop-2-enoxyadamantane.

Molecular Properties

Compound Name1-prop-2-enoxyadamantane
PubChem CID11769368
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-prop-2-enoxyadamantane
SMILESC=CCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20O/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12H,1,3-9H2
InChIKeyJKIPXZABCHFCTD-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.16
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 1-prop-2-enoxyadamantane?
The IUPAC name of 1-prop-2-enoxyadamantane (CID 11769368) is 1-prop-2-enoxyadamantane.
What is the SMILES notation for 1-prop-2-enoxyadamantane?
The canonical SMILES for 1-prop-2-enoxyadamantane is C=CCOC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-prop-2-enoxyadamantane?
The InChIKey is JKIPXZABCHFCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12H,1,3-9H2.
What are the key properties of 1-prop-2-enoxyadamantane?
1-prop-2-enoxyadamantane has a molecular weight of 192.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxyadamantane is sourced from PubChem (CID 11769368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).