2-methyl-2-prop-1-en-2-yladamantane

C14H22 — CID 10397667

IUPAC2-methyl-2-prop-1-en-2-yladamantane
SMILESC=C(C)C1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22/c1-9(2)14(3)12-5-10-4-11(7-12)8-13(14)6-10/h10-13H,1,4-8H2,2-3H3
InChIKeyJFZVQLPXHHOBED-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.02
Rot. Bonds1

About 2-methyl-2-prop-1-en-2-yladamantane

2-methyl-2-prop-1-en-2-yladamantane (PubChem CID 10397667) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-methyl-2-prop-1-en-2-yladamantane.

Molecular Properties

Compound Name2-methyl-2-prop-1-en-2-yladamantane
PubChem CID10397667
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name2-methyl-2-prop-1-en-2-yladamantane
SMILESC=C(C)C1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22/c1-9(2)14(3)12-5-10-4-11(7-12)8-13(14)6-10/h10-13H,1,4-8H2,2-3H3
InChIKeyJFZVQLPXHHOBED-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-methyl-2-prop-1-en-2-yladamantane?
The IUPAC name of 2-methyl-2-prop-1-en-2-yladamantane (CID 10397667) is 2-methyl-2-prop-1-en-2-yladamantane.
What is the SMILES notation for 2-methyl-2-prop-1-en-2-yladamantane?
The canonical SMILES for 2-methyl-2-prop-1-en-2-yladamantane is C=C(C)C1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-methyl-2-prop-1-en-2-yladamantane?
The InChIKey is JFZVQLPXHHOBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-9(2)14(3)12-5-10-4-11(7-12)8-13(14)6-10/h10-13H,1,4-8H2,2-3H3.
What are the key properties of 2-methyl-2-prop-1-en-2-yladamantane?
2-methyl-2-prop-1-en-2-yladamantane has a molecular weight of 190.33 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-1-en-2-yladamantane is sourced from PubChem (CID 10397667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).