2-methoxy-2-prop-2-enyladamantane

C14H22O — CID 12550395

IUPAC2-methoxy-2-prop-2-enyladamantane
SMILESC=CCC1(OC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22O/c1-3-4-14(15-2)12-6-10-5-11(8-12)9-13(14)7-10/h3,10-13H,1,4-9H2,2H3
InChIKeyKFMHFQUNIPQZPH-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.40
Rot. Bonds3

About 2-methoxy-2-prop-2-enyladamantane

2-methoxy-2-prop-2-enyladamantane (PubChem CID 12550395) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methoxy-2-prop-2-enyladamantane.

Molecular Properties

Compound Name2-methoxy-2-prop-2-enyladamantane
PubChem CID12550395
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-methoxy-2-prop-2-enyladamantane
SMILESC=CCC1(OC)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22O/c1-3-4-14(15-2)12-6-10-5-11(8-12)9-13(14)7-10/h3,10-13H,1,4-9H2,2H3
InChIKeyKFMHFQUNIPQZPH-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.40
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-methoxy-2-prop-2-enyladamantane?
The IUPAC name of 2-methoxy-2-prop-2-enyladamantane (CID 12550395) is 2-methoxy-2-prop-2-enyladamantane.
What is the SMILES notation for 2-methoxy-2-prop-2-enyladamantane?
The canonical SMILES for 2-methoxy-2-prop-2-enyladamantane is C=CCC1(OC)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-methoxy-2-prop-2-enyladamantane?
The InChIKey is KFMHFQUNIPQZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-3-4-14(15-2)12-6-10-5-11(8-12)9-13(14)7-10/h3,10-13H,1,4-9H2,2H3.
What are the key properties of 2-methoxy-2-prop-2-enyladamantane?
2-methoxy-2-prop-2-enyladamantane has a molecular weight of 206.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-prop-2-enyladamantane is sourced from PubChem (CID 12550395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).